N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(6-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane

C106H147N9O15S4 — CID 160669848

About N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(6-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane

N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(6-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane (PubChem CID 160669848) has the molecular formula C106H147N9O15S4 and a molecular weight of 1915.66 g/mol. Its IUPAC name is N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(6-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane.

Molecular Properties

• Compound Name: N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(6-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane
• PubChem CID: 160669848
• Molecular Formula: C106H147N9O15S4
• Molecular Weight: 1915.66 g/mol
• Exact Mass: 1913.99
• IUPAC Name: N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(6-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc(NS(=O)(=O)c2ccccc2)c(C(=O)c2cccc[n+]2[O-])cc1C.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2c(C)ccc[n+]2[O-])cc1.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2cccc(C)[n+]2[O-])cc1.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2cccnn2)cc1
• InChI: InChI=1S/2C22H22N2O4S.C20H19N3O3S.C20H18N2O4S.11C2H6/c1-14-7-9-18(10-8-14)29(27,28)23-20-13-17(4)16(3)12-19(20)22(25)21-15(2)6-5-11-24(21)26;1-14-8-10-18(11-9-14)29(27,28)23-20-13-16(3)15(2)12-19(20)22(25)21-7-5-6-17(4)24(21)26;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;1-14-12-17(20(23)19-10-6-7-11-22(19)24)18(13-15(14)2)21-27(25,26)16-8-4-3-5-9-16;11*1-2/h2*5-13,23H,1-4H3;4-12,23H,1-3H3;3-13,21H,1-2H3;11*1-2H3
• InChIKey: RMUANAFRDNWPPY-UHFFFAOYSA-N
• XLogP: 24.86
• TPSA: 359.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1915.66
LogP ≤ 5	24.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

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-(3-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(6-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane?

The IUPAC name of N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(6-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane (CID 160669848) is N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(6-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane.

What is the SMILES notation for N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(6-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane?

The canonical SMILES for N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(6-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc(NS(=O)(=O)c2ccccc2)c(C(=O)c2cccc[n+]2[O-])cc1C.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2c(C)ccc[n+]2[O-])cc1.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2cccc(C)[n+]2[O-])cc1.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2cccnn2)cc1.

What is the InChIKey of N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(6-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane?

The InChIKey is RMUANAFRDNWPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H22N2O4S.C20H19N3O3S.C20H18N2O4S.11C2H6/c1-14-7-9-18(10-8-14)29(27,28)23-20-13-17(4)16(3)12-19(20)22(25)21-15(2)6-5-11-24(21)26;1-14-8-10-18(11-9-14)29(27,28)23-20-13-16(3)15(2)12-19(20)22(25)21-7-5-6-17(4)24(21)26;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;1-14-12-17(20(23)19-10-6-7-11-22(19)24)18(13-15(14)2)21-27(25,26)16-8-4-3-5-9-16;11*1-2/h2*5-13,23H,1-4H3;4-12,23H,1-3H3;3-13,21H,1-2H3;11*1-2H3.

What are the key properties of N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(6-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane?

N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(6-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane has a molecular weight of 1915.66 g/mol, XLogP of 24.86, 20 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4,5-dimethyl-2-(3-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(6-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane is sourced from PubChem (CID 160669848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).