N-[4,5-dimethyl-2-(2-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(triazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane

C103H141N11O14S4 — CID 159799005

About N-[4,5-dimethyl-2-(2-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(triazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane

N-[4,5-dimethyl-2-(2-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(triazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane (PubChem CID 159799005) has the molecular formula C103H141N11O14S4 and a molecular weight of 1885.59 g/mol. Its IUPAC name is N-[4,5-dimethyl-2-(2-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(triazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane.

Molecular Properties

• Compound Name: N-[4,5-dimethyl-2-(2-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(triazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane
• PubChem CID: 159799005
• Molecular Formula: C103H141N11O14S4
• Molecular Weight: 1885.59 g/mol
• Exact Mass: 1883.95
• IUPAC Name: N-[4,5-dimethyl-2-(2-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(triazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2cc[n+]([O-])c(C)c2)cc1.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2cc[n+]([O-])cc2C)cc1.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2cccnn2)cc1.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2ccnnn2)cc1
• InChI: InChI=1S/2C22H22N2O4S.C20H19N3O3S.C19H18N4O3S.10C2H6/c1-14-5-7-19(8-6-14)29(27,28)23-21-12-16(3)15(2)11-20(21)22(25)18-9-10-24(26)17(4)13-18;1-14-5-7-18(8-6-14)29(27,28)23-21-12-16(3)15(2)11-20(21)22(25)19-9-10-24(26)13-17(19)4;1-13-6-8-16(9-7-13)27(25,26)23-19-12-15(3)14(2)11-17(19)20(24)18-5-4-10-21-22-18;1-12-4-6-15(7-5-12)27(25,26)22-18-11-14(3)13(2)10-16(18)19(24)17-8-9-20-23-21-17;10*1-2/h2*5-13,23H,1-4H3;4-12,23H,1-3H3;4-11,22H,1-3H3;10*1-2H3
• InChIKey: NJNUQBOUBGMLEA-UHFFFAOYSA-N
• XLogP: 23.70
• TPSA: 371.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1885.59
LogP ≤ 5	23.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-2-(2-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(triazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane?

The IUPAC name of N-[4,5-dimethyl-2-(2-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(triazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane (CID 159799005) is N-[4,5-dimethyl-2-(2-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(triazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane.

What is the SMILES notation for N-[4,5-dimethyl-2-(2-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(triazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane?

The canonical SMILES for N-[4,5-dimethyl-2-(2-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(triazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2cc[n+]([O-])c(C)c2)cc1.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2cc[n+]([O-])cc2C)cc1.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2cccnn2)cc1.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2ccnnn2)cc1.

What is the InChIKey of N-[4,5-dimethyl-2-(2-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(triazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane?

The InChIKey is NJNUQBOUBGMLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H22N2O4S.C20H19N3O3S.C19H18N4O3S.10C2H6/c1-14-5-7-19(8-6-14)29(27,28)23-21-12-16(3)15(2)11-20(21)22(25)18-9-10-24(26)17(4)13-18;1-14-5-7-18(8-6-14)29(27,28)23-21-12-16(3)15(2)11-20(21)22(25)19-9-10-24(26)13-17(19)4;1-13-6-8-16(9-7-13)27(25,26)23-19-12-15(3)14(2)11-17(19)20(24)18-5-4-10-21-22-18;1-12-4-6-15(7-5-12)27(25,26)22-18-11-14(3)13(2)10-16(18)19(24)17-8-9-20-23-21-17;10*1-2/h2*5-13,23H,1-4H3;4-12,23H,1-3H3;4-11,22H,1-3H3;10*1-2H3.

What are the key properties of N-[4,5-dimethyl-2-(2-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(triazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane?

N-[4,5-dimethyl-2-(2-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(triazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane has a molecular weight of 1885.59 g/mol, XLogP of 23.70, 20 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4,5-dimethyl-2-(2-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(triazine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane is sourced from PubChem (CID 159799005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).