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

C104H148N12O12S4 — CID 157391746

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

N-[4,5-dimethyl-2-(pyrazine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-5-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane (PubChem CID 157391746) has the molecular formula C104H148N12O12S4 and a molecular weight of 1886.67 g/mol. Its IUPAC name is N-[4,5-dimethyl-2-(pyrazine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-5-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane.

Molecular Properties

• Compound Name: N-[4,5-dimethyl-2-(pyrazine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-5-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane
• PubChem CID: 157391746
• Molecular Formula: C104H148N12O12S4
• Molecular Weight: 1886.67 g/mol
• Exact Mass: 1885.02
• IUPAC Name: N-[4,5-dimethyl-2-(pyrazine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-5-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2ccnnc2)cc1.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2cnccn2)cc1.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2cncnc2)cc1.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2ncccn2)cc1
• InChI: InChI=1S/4C20H19N3O3S.12C2H6/c1-13-5-7-16(8-6-13)27(25,26)23-18-12-15(3)14(2)11-17(18)19(24)20-21-9-4-10-22-20;1-13-4-6-17(7-5-13)27(25,26)23-19-9-15(3)14(2)8-18(19)20(24)16-10-21-12-22-11-16;1-13-4-6-17(7-5-13)27(25,26)23-19-11-15(3)14(2)10-18(19)20(24)16-8-9-21-22-12-16;1-13-4-6-16(7-5-13)27(25,26)23-18-11-15(3)14(2)10-17(18)20(24)19-12-21-8-9-22-19;12*1-2/h4*4-12,23H,1-3H3;12*1-2H3
• InChIKey: BMBWJGZRGHFERF-UHFFFAOYSA-N
• XLogP: 26.05
• TPSA: 356.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1886.67
LogP ≤ 5	26.05
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 N-[4,5-dimethyl-2-(pyrazine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-5-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane?

The IUPAC name of N-[4,5-dimethyl-2-(pyrazine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-5-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane (CID 157391746) is N-[4,5-dimethyl-2-(pyrazine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-5-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane.

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

The canonical SMILES for N-[4,5-dimethyl-2-(pyrazine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-5-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2ccnnc2)cc1.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2cnccn2)cc1.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2cncnc2)cc1.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2ncccn2)cc1.

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

The InChIKey is BMBWJGZRGHFERF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H19N3O3S.12C2H6/c1-13-5-7-16(8-6-13)27(25,26)23-18-12-15(3)14(2)11-17(18)19(24)20-21-9-4-10-22-20;1-13-4-6-17(7-5-13)27(25,26)23-19-9-15(3)14(2)8-18(19)20(24)16-10-21-12-22-11-16;1-13-4-6-17(7-5-13)27(25,26)23-19-11-15(3)14(2)10-18(19)20(24)16-8-9-21-22-12-16;1-13-4-6-16(7-5-13)27(25,26)23-18-11-15(3)14(2)10-17(18)20(24)19-12-21-8-9-22-19;12*1-2/h4*4-12,23H,1-3H3;12*1-2H3.

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

N-[4,5-dimethyl-2-(pyrazine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-5-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane has a molecular weight of 1886.67 g/mol, XLogP of 26.05, 20 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4,5-dimethyl-2-(pyrazine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-5-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane is sourced from PubChem (CID 157391746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).