4-amino-N,N-dicyclohexylbenzene-1-sulfonamide

• ChemBase ID: 57660
• Molecular Formular: C18H28N2O2S
• Molecular Mass: 336.49212
• Monoisotopic Mass: 336.18714915
• SMILES: S(=O)(=O)(N(C1CCCCC1)C1CCCCC1)c1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)S(=O)(=O)N(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C18H28N2O2S/c19-15-11-13-18(14-12-15)23(21,22)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h11-14,16-17H,1-10,19H2
• InChIKey: ZGAOHMKUHPRLAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N,N-dicyclohexylbenzene-1-sulfonamide
• IUPAC Traditional name: 4-amino-N,N-dicyclohexylbenzenesulfonamide
• Synonyms: 4-Amino-N,N-dicyclohexylbenzenesulfonamide

Database IDs

• MDL Number: MFCD01055421
• PubChem SID: 162062423
• PubChem CID: 15420470

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.7958717
• LogD (pH = 7.4): 3.7962391
• Log P: 3.796244
• Molar Refractivity: 94.7381 cm^3
• Polarizability: 37.378437 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false