4-amino-N,N-dibutylbenzene-1-sulfonamide

• ChemBase ID: 57903
• Molecular Formular: C14H24N2O2S
• Molecular Mass: 284.41756
• Monoisotopic Mass: 284.15584902
• SMILES: S(=O)(=O)(c1ccc(N)cc1)N(CCCC)CCCC
• Canonical SMILES: CCCCN(S(=O)(=O)c1ccc(cc1)N)CCCC
• InChI: InChI=1S/C14H24N2O2S/c1-3-5-11-16(12-6-4-2)19(17,18)14-9-7-13(15)8-10-14/h7-10H,3-6,11-12,15H2,1-2H3
• InChIKey: IFVSXDXSBJHYPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N,N-dibutylbenzene-1-sulfonamide
• IUPAC Traditional name: 4-amino-N,N-dibutylbenzenesulfonamide
• Synonyms: 4-Amino-N,N-dibutylbenzenesulfonamide

Database IDs

• MDL Number: MFCD04035144
• PubChem SID: 162062666
• PubChem CID: 4713534

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8451672
• LogD (pH = 7.4): 2.8454967
• Log P: 2.8455007
• Molar Refractivity: 80.4569 cm^3
• Polarizability: 31.469694 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false