N-fluoro-N,4-dimethylbenzene-1-sulfonamide

• ChemBase ID: 138976
• Molecular Formular: C8H10FNO2S
• Molecular Mass: 203.2339032
• Monoisotopic Mass: 203.04162779
• SMILES: Cc1ccc(cc1)S(=O)(=O)N(C)F
• Canonical SMILES: Cc1ccc(cc1)S(=O)(=O)N(F)C
• InChI: InChI=1S/C8H10FNO2S/c1-7-3-5-8(6-4-7)13(11,12)10(2)9/h3-6H,1-2H3
• InChIKey: PGGWSBRXMHAXEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-fluoro-N,4-dimethylbenzene-1-sulfonamide
• IUPAC Traditional name: N-fluoro-N,4-dimethylbenzenesulfonamide
• Synonyms: N-Fluoro-N-methyl-p-toluenesulfonamide; N-氟-N-甲基-对甲苯磺酰胺

Database IDs

• CAS Number: 88303-12-2
• MDL Number: MFCD00042383
• Beilstein Number: 5334212
• PubChem SID: 162233227
• PubChem CID: 145158

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7909994
• LogD (pH = 7.4): 1.7909994
• Log P: 1.7909994
• Molar Refractivity: 48.8551 cm^3
• Polarizability: 18.9917 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H10FNO2S