2-Iodobenzene-1-sulfonamide

HCID 2824892CAS 53730-99-7

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Basic information

Standard SMILES: NS(=O)(=O)c1ccccc1I
InChIKey: JKHHRSIUFVAEOY-UHFFFAOYSA-N
Molecular formula: C6H6INO2S
Average molar mass: 283.09 g/mol
Monoisotopic mass: 282.9164

Names & identifiers

Preferred name: 2-Iodobenzene-1-sulfonamide
IUPAC: 2-iodobenzenesulfonamide
English name: 2-Iodobenzene-1-sulfonamide, 95%+
Molecular formula: C6H6INO2S
Molecular weight: 283.09

Names & synonyms

2-iodobenzene-1-sulfonamide53730-99-7DTXSID60385002RefChem:262256DTXCID70336025620-483-72-iodobenzenesulfonamideMFCD000991042-IODOBENZENE-1-SULFONAMIDE, 95%+Benzenesulfonamide, 2-iodo-2-iodophenylsulfonamideiodobenzene-sulfonamide

Show more names

2-iodobenzene sulfonamide2-Iodo-benzenesulfonamide2-iodo benzene sulfonamideSCHEMBL1471236SCHEMBL7990343SCHEMBL29469861JKHHRSIUFVAEOY-UHFFFAOYSA-NDCA73099

Database identifiers

CAS: 53730-99-7
PubChem CID: 2824892
DTXSID: DTXSID60385002
EC Number: 620-483-7

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 68.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 221

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H335-H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H335-H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362