4-amino-N,N-bis(2-methylpropyl)benzene-1-sulfonamide

• ChemBase ID: 57907
• Molecular Formular: C14H24N2O2S
• Molecular Mass: 284.41756
• Monoisotopic Mass: 284.15584902
• SMILES: S(=O)(=O)(N(CC(C)C)CC(C)C)c1ccc(N)cc1
• Canonical SMILES: CC(CN(S(=O)(=O)c1ccc(cc1)N)CC(C)C)C
• InChI: InChI=1S/C14H24N2O2S/c1-11(2)9-16(10-12(3)4)19(17,18)14-7-5-13(15)6-8-14/h5-8,11-12H,9-10,15H2,1-4H3
• InChIKey: SIQNRECRBYIFHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N,N-bis(2-methylpropyl)benzene-1-sulfonamide
• IUPAC Traditional name: 4-amino-N,N-bis(2-methylpropyl)benzenesulfonamide
• Synonyms: 4-Amino-N,N-diisobutylbenzenesulfonamide

Database IDs

• MDL Number: MFCD06001663
• PubChem SID: 162062670
• PubChem CID: 1253155

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.685884
• LogD (pH = 7.4): 2.6863039
• Log P: 2.686309
• Molar Refractivity: 80.1981 cm^3
• Polarizability: 31.46969 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false