4-amino-2-methoxy-N,N-dimethylbenzene-1-sulfonamide

• ChemBase ID: 243825
• Molecular Formular: C9H14N2O3S
• Molecular Mass: 230.28406
• Monoisotopic Mass: 230.07251332
• SMILES: S(=O)(=O)(c1c(cc(cc1)N)OC)N(C)C
• Canonical SMILES: COc1cc(N)ccc1S(=O)(=O)N(C)C
• InChI: InChI=1S/C9H14N2O3S/c1-11(2)15(12,13)9-5-4-7(10)6-8(9)14-3/h4-6H,10H2,1-3H3
• InChIKey: QFUHGAYWBVJFIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-2-methoxy-N,N-dimethylbenzene-1-sulfonamide
• IUPAC Traditional name: 4-amino-2-methoxy-N,N-dimethylbenzenesulfonamide
• Synonyms: 4-amino-2-methoxy-N,N-dimethylbenzene-1-sulfonamide

Database IDs

• MDL Number: MFCD11621534
• PubChem SID: 164299735
• PubChem CID: 43257968

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.039874885
• LogD (pH = 7.4): 0.040029526
• Log P: 0.040031496
• Molar Refractivity: 59.1729 cm^3
• Polarizability: 22.990635 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.183

Product Information

• Purity: 95%