2-chloro-5-(hydrazinecarbonyl)-N-(2-methoxyphenyl)benzene-1-sulfonamide

• ChemBase ID: 237600
• Molecular Formular: C14H14ClN3O4S
• Molecular Mass: 355.79666
• Monoisotopic Mass: 355.03935462
• SMILES: S(=O)(=O)(c1cc(C(=O)NN)ccc1Cl)Nc1c(OC)cccc1
• Canonical SMILES: NNC(=O)c1ccc(c(c1)S(=O)(=O)Nc1ccccc1OC)Cl
• InChI: InChI=1S/C14H14ClN3O4S/c1-22-12-5-3-2-4-11(12)18-23(20,21)13-8-9(14(19)17-16)6-7-10(13)15/h2-8,18H,16H2,1H3,(H,17,19)
• InChIKey: RDFNYXUIBIGZAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(hydrazinecarbonyl)-N-(2-methoxyphenyl)benzene-1-sulfonamide
• IUPAC Traditional name: 2-chloro-5-(hydrazinecarbonyl)-N-(2-methoxyphenyl)benzenesulfonamide
• Synonyms: 2-chloro-5-(hydrazinocarbonyl)-N-(2-methoxyphenyl)benzenesulfonamide

Database IDs

• MDL Number: MFCD06334919
• PubChem SID: 164293510
• PubChem CID: 2111477

CALCULATED PROPERTIES

• Acid pKa: 6.426905
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 1.4179122
• LogD (pH = 7.4): 0.76077026
• Log P: 1.4614491
• Molar Refractivity: 87.7207 cm^3
• Polarizability: 33.971992 Å^3
• Polar Surface Area: 110.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.698

Product Information

• Purity: 95%