alpha-Toluenesulfono-p-toluidide

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Basic information

CAS: 5434-03-7
Standard SMILES: Cc1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIKey: YEIBHZWRMVSTRN-UHFFFAOYSA-N
Molecular formula: C14H15NO2S
Average molar mass: 261.34 g/mol
Monoisotopic mass: 261.08234989

Names & identifiers

Preferred name: alpha-Toluenesulfono-p-toluidide
IUPAC: N-(4-methylphenyl)-1-phenylmethanesulfonamide
English name: N-(4-methylphenyl)(phenyl)methanesulfonamide
Molecular formula: C14H15NO2S
Molecular weight: 261.34

Names & synonyms

5434-03-7alpha-Toluenesulfono-p-toluidideBenzenemethanesulfonamide, N-(4-phenylmethyl)-NSC 10410BRN 2649719N-(4-Phenylmethyl)benzenemethanesulfonamideDTXSID702027112-12-00-00528 (Beilstein Handbook Reference)RefChem:318508DTXCID00125202Benzenemethanesulfonamide, N-(4-phenylmethyl)-(9CI)n-(4-methylphenyl)-1-phenylmethanesulfonamide

Show more names

Benzenemethanesulfonamide, N-(4-methylphenyl)-

N-(4-Methylphenyl)benzenemethanesulfonamideNSC-10410N-(4-methylphenyl)(phenyl)methanesulfonamideNSC104101-phenyl-N-(p-tolyl)methanesulfonamideOprea1_742248SCHEMBL94978SCHEMBL9186300

Database identifiers

CAS: 5434-03-7
PubChem CID: 94958
DTXSID: DTXSID70202711
UNII: TYP33P7G42
Nikkaji: J1.974.389F

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 333

Physicochemical properties

Melting point: 108 °C · 108 °C
Boiling point: 418.6 · 418.6±48.0 °C(Predicted)
Density: 1.263 · 1.263±0.06 g/cm3(Predicted)
pka: 9.65 · 9.65±0.30(Predicted)

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Compound notes

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