N-[4,5-dimethyl-2-(6-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxypyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide

C₁₀₉H₁₅₃N₈O₁₅S₄+3 — CID 158712144

About N-[4,5-dimethyl-2-(6-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxypyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide

N-[4,5-dimethyl-2-(6-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxypyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide (PubChem CID 158712144) has the molecular formula C₁₀₉H₁₅₃N₈O₁₅S₄+3 and a molecular weight of 1943.73 g/mol. Its IUPAC name is N-[4,5-dimethyl-2-(6-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxypyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[4,5-dimethyl-2-(6-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxypyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide
• PubChem CID: 158712144
• Molecular Formula: C₁₀₉H₁₅₃N₈O₁₅S₄+3
• Molecular Weight: 1943.73 g/mol
• Exact Mass: 1942.03
• IUPAC Name: N-[4,5-dimethyl-2-(6-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxypyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CO[n+]1cc(C(=O)c2cc(C)c(C)cc2NS(=O)(=O)c2ccc(C)cc2)ccc1C.CO[n+]1cccc(C(=O)c2cc(C)c(C)cc2NS(=O)(=O)c2ccc(C)cc2)c1C.CO[n+]1cccc(C(=O)c2cc(C)c(C)cc2NS(=O)(=O)c2ccccc2)c1.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2ccc(C)nc2)cc1
• InChI: InChI=1S/2C23H24N2O4S.C22H22N2O3S.C21H20N2O4S.10C2H6/c1-15-6-10-20(11-7-15)30(27,28)24-22-13-17(3)16(2)12-21(22)23(26)19-9-8-18(4)25(14-19)29-5;1-15-8-10-19(11-9-15)30(27,28)24-22-14-17(3)16(2)13-21(22)23(26)20-7-6-12-25(29-5)18(20)4;1-14-5-9-19(10-6-14)28(26,27)24-21-12-16(3)15(2)11-20(21)22(25)18-8-7-17(4)23-13-18;1-15-12-19(21(24)17-8-7-11-23(14-17)27-3)20(13-16(15)2)22-28(25,26)18-9-5-4-6-10-18;10*1-2/h2*6-14H,1-5H3;5-13,24H,1-4H3;4-14H,1-3H3;10*1-2H3/p+3
• InChIKey: IIWADSUTZARPNJ-UHFFFAOYSA-Q
• XLogP: 23.89
• TPSA: 305.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1943.73
LogP ≤ 5	23.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anthranil_one_A(38)', '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-(6-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxypyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide?

The IUPAC name of N-[4,5-dimethyl-2-(6-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxypyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide (CID 158712144) is N-[4,5-dimethyl-2-(6-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxypyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide.

What is the SMILES notation for N-[4,5-dimethyl-2-(6-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxypyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide?

The canonical SMILES for N-[4,5-dimethyl-2-(6-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxypyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CO[n+]1cc(C(=O)c2cc(C)c(C)cc2NS(=O)(=O)c2ccc(C)cc2)ccc1C.CO[n+]1cccc(C(=O)c2cc(C)c(C)cc2NS(=O)(=O)c2ccc(C)cc2)c1C.CO[n+]1cccc(C(=O)c2cc(C)c(C)cc2NS(=O)(=O)c2ccccc2)c1.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2ccc(C)nc2)cc1.

What is the InChIKey of N-[4,5-dimethyl-2-(6-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxypyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide?

The InChIKey is IIWADSUTZARPNJ-UHFFFAOYSA-Q. The full InChI is InChI=1S/2C23H24N2O4S.C22H22N2O3S.C21H20N2O4S.10C2H6/c1-15-6-10-20(11-7-15)30(27,28)24-22-13-17(3)16(2)12-21(22)23(26)19-9-8-18(4)25(14-19)29-5;1-15-8-10-19(11-9-15)30(27,28)24-22-14-17(3)16(2)13-21(22)23(26)20-7-6-12-25(29-5)18(20)4;1-14-5-9-19(10-6-14)28(26,27)24-21-12-16(3)15(2)11-20(21)22(25)18-8-7-17(4)23-13-18;1-15-12-19(21(24)17-8-7-11-23(14-17)27-3)20(13-16(15)2)22-28(25,26)18-9-5-4-6-10-18;10*1-2/h2*6-14H,1-5H3;5-13,24H,1-4H3;4-14H,1-3H3;10*1-2H3/p+3.

What are the key properties of N-[4,5-dimethyl-2-(6-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxypyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide?

N-[4,5-dimethyl-2-(6-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxypyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide has a molecular weight of 1943.73 g/mol, XLogP of 23.89, 23 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4,5-dimethyl-2-(6-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxypyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide is sourced from PubChem (CID 158712144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158712144 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.