Chlorosulfamic acid (CED0000144)

Record Information

Version

1.0

Creation Date

2016-06-03 10:59:56 UTC

Update Date

2026-03-26 23:02:52 UTC

Accession Number

CHEM043517

Identification

Common Name

Chlorosulfamic acid

Class

Small Molecule

Description

Chlorosulfamic acid belongs to the halogen oxides, a subclass of halogen organides within the inorganic compounds. This homogeneous non-metal compound has the formula ClH2NO3S and an average molecular weight of 131.53 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
N-Chlorosulfamate	Generator
N-Chlorosulphamate	Generator
N-Chlorosulphamic acid	Generator

Chemical Formula

ClH₂NO₃S

Average Molecular Mass

131.530 g/mol

Monoisotopic Mass

130.944 g/mol

CAS Registry Number

17172-27-9

IUPAC Name

N-chlorosulfamic acid

Traditional Name

N-chlorosulfamic acid

SMILES

OS(=O)(=O)NCl

InChI Identifier

InChI=1S/ClH2NO3S/c1-2-6(3,4)5/h2H,(H,3,4,5)

InChI Key

OGQPUOLFKIMRMF-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of inorganic compounds known as halogen oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a halogen.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Halogen organides

Sub Class

Halogen oxides

Direct Parent

Halogen oxides

Alternative Parents

Inorganic oxides

Substituents

Halogen oxide
Inorganic oxide

Molecular Framework

Not Available

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	17.4 g/L	ALOGPS
logP	-1.4	ALOGPS
logP	-0.65	ChemAxon
logS	-0.88	ALOGPS
pKa (Strongest Acidic)	-2.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	66.4 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	20.64 m³·mol⁻¹	ChemAxon
Polarizability	9.03 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-2900000000-5af420b7a6d0e15c27a1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-2900000000-ba374f65c045a9c064a1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001j-9100000000-0dd3ced5e1ebfeeca640	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0900000000-4a9aa7f5f13fa6a0376d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-1900000000-66e4b2ec57bda555ddda	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-4900000000-e136b5d81984d9450b96	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
597	Chemosterilants	Agriculture & land management	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	2612.93
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	3070.61
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	2674.82
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	2407.25
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	1763.52
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	2307.76
Click to view 3D structure	Carbonic anhydrase	P40881	Methanosarcina thermophila	Predicted (SEA)	118.331
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	233.392
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	233.392
Click to view 3D structure	Low molecular weight phosphotyrosine protein phosphatase	Q9D358	Mus musculus	Predicted (SEA)	73.7232
Click to view 3D structure	Low molecular weight phosphotyrosine protein phosphatase	P41498	Rattus norvegicus	Predicted (SEA)	73.7232
Click to view 3D structure	Aspartate-semialdehyde dehydrogenase	O25801	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	14.6357
Click to view 3D structure	Dual specificity protein phosphatase 6	Q16828	Humans	Predicted (SEA)	35.2657
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	6535.05
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	5531.65
Click to view 3D structure	Receptor-type tyrosine-protein phosphatase beta	P23467	Humans	Predicted (SEA)	1531.14
Click to view 3D structure	Low molecular weight phosphotyrosine protein phosphatase	P24666	Humans	Predicted (SEA)	4966.62
Click to view 3D structure	Astrosclerin-3	A6YCJ1	Astrosclera willeyana	Predicted (SEA)	1307.71
Click to view 3D structure	Carbonic anhydrase	P53615	Saccharomyces cerevisiae S288c	Predicted (SEA)	1207.36
Click to view 3D structure	Carbonic anhydrase	Q6FTL6	Candida glabrata CBS 138	Predicted (SEA)	2654.58
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	6606.44
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	4458.27
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	3751.48
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	7572.08
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	7441.76