ethane;N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridazine-4-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-5-carbonyl)phenyl]benzenesulfonamide

C116H196N12O12S4 — CID 157166465

About ethane;N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridazine-4-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-5-carbonyl)phenyl]benzenesulfonamide

ethane;N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridazine-4-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-5-carbonyl)phenyl]benzenesulfonamide (PubChem CID 157166465) has the molecular formula C116H196N12O12S4 and a molecular weight of 2079.18 g/mol. Its IUPAC name is ethane;N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridazine-4-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-5-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: ethane;N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridazine-4-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-5-carbonyl)phenyl]benzenesulfonamide
• PubChem CID: 157166465
• Molecular Formula: C116H196N12O12S4
• Molecular Weight: 2079.18 g/mol
• Exact Mass: 2077.40
• IUPAC Name: ethane;N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridazine-4-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-5-carbonyl)phenyl]benzenesulfonamide
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C(c1ccnnc1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1cnccn1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1cncnc1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1ncccn1)c1ccccc1NS(=O)(=O)c1ccccc1
• InChI: InChI=1S/4C17H13N3O3S.24C2H6/c21-16(17-18-11-6-12-19-17)14-9-4-5-10-15(14)20-24(22,23)13-7-2-1-3-8-13;21-17(13-10-18-12-19-11-13)15-8-4-5-9-16(15)20-24(22,23)14-6-2-1-3-7-14;21-17(13-10-11-18-19-12-13)15-8-4-5-9-16(15)20-24(22,23)14-6-2-1-3-7-14;21-17(16-12-18-10-11-19-16)14-8-4-5-9-15(14)20-24(22,23)13-6-2-1-3-7-13;24*1-2/h4*1-12,20H;24*1-2H3
• InChIKey: AMYVZPJHNSWQPW-UHFFFAOYSA-N
• XLogP: 34.66
• TPSA: 356.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2079.18
LogP ≤ 5	34.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridazine-4-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-5-carbonyl)phenyl]benzenesulfonamide?

The IUPAC name of ethane;N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridazine-4-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-5-carbonyl)phenyl]benzenesulfonamide (CID 157166465) is ethane;N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridazine-4-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-5-carbonyl)phenyl]benzenesulfonamide.

What is the SMILES notation for ethane;N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridazine-4-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-5-carbonyl)phenyl]benzenesulfonamide?

The canonical SMILES for ethane;N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridazine-4-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-5-carbonyl)phenyl]benzenesulfonamide is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C(c1ccnnc1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1cnccn1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1cncnc1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1ncccn1)c1ccccc1NS(=O)(=O)c1ccccc1.

What is the InChIKey of ethane;N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridazine-4-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-5-carbonyl)phenyl]benzenesulfonamide?

The InChIKey is AMYVZPJHNSWQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C17H13N3O3S.24C2H6/c21-16(17-18-11-6-12-19-17)14-9-4-5-10-15(14)20-24(22,23)13-7-2-1-3-8-13;21-17(13-10-18-12-19-11-13)15-8-4-5-9-16(15)20-24(22,23)14-6-2-1-3-7-14;21-17(13-10-11-18-19-12-13)15-8-4-5-9-16(15)20-24(22,23)14-6-2-1-3-7-14;21-17(16-12-18-10-11-19-16)14-8-4-5-9-15(14)20-24(22,23)13-6-2-1-3-7-13;24*1-2/h4*1-12,20H;24*1-2H3.

What are the key properties of ethane;N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridazine-4-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-5-carbonyl)phenyl]benzenesulfonamide?

ethane;N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridazine-4-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-5-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 2079.18 g/mol, XLogP of 34.66, 20 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridazine-4-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-5-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 157166465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).