CAS 63826-12-0 4-amino-N-methyl-N-phenylbenzenesulfonamide (HCID 308590)

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Basic information

CAS: 63826-12-0
Standard SMILES: CN(c1ccccc1)S(=O)(=O)c1ccc(N)cc1
InChIKey: CFXMWOQQTYMARQ-UHFFFAOYSA-N
Molecular formula: C13H14N2O2S
Average molar mass: 262.33 g/mol
Monoisotopic mass: 262.07759869

Names & identifiers

Preferred name: 4-amino-N-methyl-N-phenylbenzenesulfonamide
IUPAC: 4-amino-N-methyl-N-phenylbenzenesulfonamide
English name: 4-Amino-N-methyl-N-phenyl-benzenesulfonamide
Molecular formula: C13H14N2O2S
Molecular weight: 262.33

Names & synonyms

4-amino-N-methyl-N-phenylbenzenesulfonamide63826-12-0C13H14N2O2S4-amino-N-methyl-N-phenylbenzene-1-sulfonamide[(4-aminophenyl)sulfonyl]methylphenylamine7220AENSC210414Benzenesulfonamide, 4-amino-N-methyl-N-phenyl-CHEMBL376389SCHEMBL2518894DTXSID80308935CFXMWOQQTYMARQ-UHFFFAOYSA-N

Show more names

AKOS BBB/0344-Amino-N-methyl-N-phenyl-benzenesulfonamide

SBB073041STK122479AKOS000200905NSC-2104144-(N-phenyl-N-methylaminosulfonyl)anilineDB-426055ST45043068VU0412989-2

Database identifiers

CAS: 63826-12-0
PubChem CID: 308590
DTXSID: DTXSID80308935
ChEMBL: CHEMBL376389

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 350

Physicochemical properties

Melting point: 139 · 139-140 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
Boiling point: 440.3 · 440.3±47.0 °C(Predicted)
Density: 1.315 · 1.315±0.06 g/cm3(Predicted)
pka: 1.93 · 1.93±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xi
HazardClass: IRRITANT