N'-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,N-dimethylmethanimidamide

• ChemBase ID: 81282
• Molecular Formular: C8H13ClN4O2S
• Molecular Mass: 264.73242
• Monoisotopic Mass: 264.04477436
• SMILES: S(=O)(=O)(c1c(n(C)nc1C)Cl)/N=C/N(C)C
• Canonical SMILES: CN(/C=N/S(=O)(=O)c1c(C)nn(c1Cl)C)C
• InChI: InChI=1S/C8H13ClN4O2S/c1-6-7(8(9)13(4)11-6)16(14,15)10-5-12(2)3/h5H,1-4H3
• InChIKey: WIOFVUMVRUIMQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,N-dimethylmethanimidamide
• IUPAC Traditional name: N'-(5-chloro-1,3-dimethylpyrazol-4-ylsulfonyl)-N,N-dimethylmethanimidamide
• Synonyms: N4-[(dimethylamino)methylidene]-5-chloro-1,3-dimethyl-1H-pyrazole-4-sulphonamide

Database IDs

• MDL Number: MFCD00121029
• PubChem SID: 162068401
• PubChem CID: 9582147

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.44524866
• LogD (pH = 7.4): -0.44521832
• Log P: -0.44521794
• Molar Refractivity: 73.6406 cm^3
• Polarizability: 24.291601 Å^3
• Polar Surface Area: 67.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true