N,N-dimethyl-2-(4H-1,2,4-triazol-4-yl)ethane-1-sulfonamide

• ChemBase ID: 584789
• Molecular Formular: C6H12N4O2S
• Molecular Mass: 204.25008
• Monoisotopic Mass: 204.06809664
• SMILES: S(=O)(=O)(CCn1cnnc1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)CCn1cnnc1)C
• InChI: InChI=1S/C6H12N4O2S/c1-9(2)13(11,12)4-3-10-5-7-8-6-10/h5-6H,3-4H2,1-2H3
• InChIKey: RSVOVITYHQOJGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-(4H-1,2,4-triazol-4-yl)ethane-1-sulfonamide
• IUPAC Traditional name: N,N-dimethyl-2-(1,2,4-triazol-4-yl)ethanesulfonamide
• Synonyms: N,N-dimethyl-2-(4H-1,2,4-triazol-4-yl)ethanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.9895049
• LogD (pH = 7.4): -1.9892364
• Log P: -1.9892329
• Molar Refractivity: 50.1408 cm^3
• Polarizability: 19.063187 Å^3
• Polar Surface Area: 68.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -1.6
• LOG S: -0.64
• Polar Surface Area: 68.09 Å^2
• Rotatable Bonds: 3