2-Phenylethenesulfonamide

HCID 257501CAS 4363-41-1

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Basic information

Standard SMILES: NS(=O)(=O)C=Cc1ccccc1
InChIKey: SHPHBMZZXHFXDF-UHFFFAOYSA-N
Molecular formula: C8H9NO2S
Average molar mass: 183.23 g/mol
Monoisotopic mass: 183.03539953

Names & identifiers

Preferred name: 2-Phenylethenesulfonamide
IUPAC: 2-phenylethenesulfonamide
English name: (E)-2-Phenylethylenesulfonamide
Molecular formula: C8H9NO2S
Molecular weight: 183.23

Names & synonyms

2-phenylethenesulfonamidestyrene sulfonamide2-phenylethene-1-sulfonamideMaybridge3_000756Oprea1_335337SCHEMBL1205879SCHEMBL6293436SCHEMBL6923893SHPHBMZZXHFXDF-UHFFFAOYSA-NDTXSID001347792EAA36341DA-25700

Show more names

(E)-2-phenylethenesulfonamideEthenesulfonamide, 2-phenyl-(E)-2-Phenylethylenesulfonamide2-PHENYLETH-1-ENE-1-SULFONAMIDE2-PHENYL-ETHENESULFONIC ACID AMIDE

Database identifiers

CAS: 4363-41-1
PubChem CID: 257501
DTXSID: DTXSID001347792
EC Number: 102-786-1

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 68.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 245

Physicochemical properties

Melting point: 141 · 141-142 °C(Solv: water (7732-18-5))
Boiling point: 360.7 · 360.7±35.0 °C(Predicted)
Density: 1.321 · 1.321±0.06 g/cm3(Predicted)
pka: 10.03 · 10.03±0.60(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.