4-amino-N-(5-chloropyrazin-2-yl)-N-sodiobenzene-1-sulfonamide

• ChemBase ID: 157543
• Molecular Formular: C10H8ClN4NaO2S
• Molecular Mass: 306.70389
• Monoisotopic Mass: 305.99541848
• SMILES: c1cc(ccc1N)S(=O)(=O)N(c1cnc(cn1)Cl)[Na]
• Canonical SMILES: Nc1ccc(cc1)S(=O)(=O)N(c1cnc(cn1)Cl)[Na]
• InChI: InChI=1S/C10H8ClN4O2S.Na/c11-9-5-14-10(6-13-9)15-18(16,17)8-3-1-7(12)2-4-8;/h1-6H,12H2;/q-1;+1
• InChIKey: XAGGLFSIKVVWCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-(5-chloropyrazin-2-yl)-N-sodiobenzene-1-sulfonamide
• IUPAC Traditional name: 4-amino-N-(5-chloropyrazin-2-yl)-N-sodiobenzenesulfonamide
• Synonyms: Sulfaclozine sodium; 磺胺氯吡嗪 钠

Database IDs

• CAS Number: 23307-72-4
• EC Number: 245-571-9
• MDL Number: MFCD09954636
• PubChem SID: 162251680
• PubChem CID: 24721655

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.38583934
• LogD (pH = 7.4): -0.38570175
• Log P: -0.3857
• Molar Refractivity: 68.6564 cm^3
• Polarizability: 28.249832 Å^3
• Polar Surface Area: 89.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3

Product Information

• Grade: VETRANAL™, analytical standard
• Empirical Formula (Hill Notation): C10H8ClN4NaO2S

DETAILS

Sigma Aldrich - 32421

Legal Information
VETRANAL is a trademark of Sigma-Aldrich Co. LLC