4-fluoro-N-methylbenzene-1-sulfonamide

HCID 2440054CAS 433-14-7

Substructure search Find similar structures

Basic information

Standard SMILES: CNS(=O)(=O)c1ccc(F)cc1
InChIKey: RDRBNXNITJCMPV-UHFFFAOYSA-N
Molecular formula: C7H8FNO2S
Average molar mass: 189.21 g/mol
Monoisotopic mass: 189.02597772

Names & identifiers

Preferred name: 4-fluoro-N-methylbenzene-1-sulfonamide
IUPAC: 4-fluoro-N-methylbenzenesulfonamide
English name: 4-Fluoro-N-methylbenzenesulphonamide
Molecular formula: C7H8FNO2S
Molecular weight: 189.21

Names & synonyms

4-fluoro-N-methylbenzene-1-sulfonamideRefChem:523363961-578-64-fluoro-N-methylbenzenesulfonamide433-14-7N-Methyl 4-fluorobenzenesulfonamide4-Fluoro-N-methylbenzenesulphonamideMFCD01211989N-methyl-4-fluorobenzenesulfonamideN-methyl-4-fluorobenzenesulphonamideSCHEMBL709242CS-D1167

Show more names

BenzenesulfonaMide, 4-fluoro-N-Methyl-

AKOS000200542SY101444F14528Enamine_005497HMS140SCHEMBL2372068SCHEMBL7303158DTXSID00368677

Database identifiers

CAS: 433-14-7
PubChem CID: 2440054
DTXSID: DTXSID00368677
EC Number: 961-578-6

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 226

Physicochemical properties

Melting point: 56 · 56-58
Boiling point: 278.8 · 278.8±42.0 °C(Predicted)
Density: 1.311 · 1.311±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 11.34 · 11.34±0.30(Predicted)
Appearance: White to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 271 · P271-P280
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2935909099 · 2935909099

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, P317, 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.