4-amino-N-cyclopropyl-N-methylbenzene-1-sulfonamide

• ChemBase ID: 270474
• Molecular Formular: C10H14N2O2S
• Molecular Mass: 226.29536
• Monoisotopic Mass: 226.0775987
• SMILES: S(=O)(=O)(N(C1CC1)C)c1ccc(N)cc1
• Canonical SMILES: CN(S(=O)(=O)c1ccc(cc1)N)C1CC1
• InChI: InChI=1S/C10H14N2O2S/c1-12(9-4-5-9)15(13,14)10-6-2-8(11)3-7-10/h2-3,6-7,9H,4-5,11H2,1H3
• InChIKey: UZCSDFNQKQIYPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-cyclopropyl-N-methylbenzene-1-sulfonamide
• IUPAC Traditional name: 4-amino-N-cyclopropyl-N-methylbenzenesulfonamide
• Synonyms: 4-amino-N-cyclopropyl-N-methylbenzene-1-sulfonamide

Database IDs

• MDL Number: MFCD11623797
• PubChem SID: 164326384
• PubChem CID: 43264646

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6629623
• LogD (pH = 7.4): 0.66326344
• Log P: 0.6632673
• Molar Refractivity: 59.9209 cm^3
• Polarizability: 23.393856 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 131 - 133°C
• Hydrophobicity(logP): 1.194

Product Information

• Purity: 95%