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

C109H155N8O13S4+ — CID 159195505

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

N-[4,5-dimethyl-2-(2-methylpyridine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methylpyridine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxypyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide (PubChem CID 159195505) has the molecular formula C109H155N8O13S4+ and a molecular weight of 1913.75 g/mol. Its IUPAC name is N-[4,5-dimethyl-2-(2-methylpyridine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methylpyridine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxypyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[4,5-dimethyl-2-(2-methylpyridine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methylpyridine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxypyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide
• PubChem CID: 159195505
• Molecular Formula: C109H155N8O13S4+
• Molecular Weight: 1913.75 g/mol
• Exact Mass: 1912.06
• IUPAC Name: N-[4,5-dimethyl-2-(2-methylpyridine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methylpyridine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxypyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CO[n+]1ccc(C(=O)c2cc(C)c(C)cc2NS(=O)(=O)c2ccccc2)cc1.Cc1cc(NS(=O)(=O)c2ccccc2)c(C(=O)c2ccncc2)cc1C.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2ccnc(C)c2)cc1.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2ccncc2C)cc1
• InChI: InChI=1S/2C22H22N2O3S.C21H20N2O4S.C20H18N2O3S.12C2H6/c1-14-5-7-19(8-6-14)28(26,27)24-21-12-16(3)15(2)11-20(21)22(25)18-9-10-23-17(4)13-18;1-14-5-7-18(8-6-14)28(26,27)24-21-12-16(3)15(2)11-20(21)22(25)19-9-10-23-13-17(19)4;1-15-13-19(21(24)17-9-11-23(27-3)12-10-17)20(14-16(15)2)22-28(25,26)18-7-5-4-6-8-18;1-14-12-18(20(23)16-8-10-21-11-9-16)19(13-15(14)2)22-26(24,25)17-6-4-3-5-7-17;12*1-2/h2*5-13,24H,1-4H3;4-14H,1-3H3;3-13,22H,1-2H3;12*1-2H3/p+1
• InChIKey: KOPNMWAQNNNQMD-UHFFFAOYSA-O
• XLogP: 27.42
• TPSA: 304.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 21
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1913.75
LogP ≤ 5	27.42
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-(2-methylpyridine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methylpyridine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxypyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide?

The IUPAC name of N-[4,5-dimethyl-2-(2-methylpyridine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methylpyridine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxypyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide (CID 159195505) is N-[4,5-dimethyl-2-(2-methylpyridine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methylpyridine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxypyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide.

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

The canonical SMILES for N-[4,5-dimethyl-2-(2-methylpyridine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methylpyridine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxypyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CO[n+]1ccc(C(=O)c2cc(C)c(C)cc2NS(=O)(=O)c2ccccc2)cc1.Cc1cc(NS(=O)(=O)c2ccccc2)c(C(=O)c2ccncc2)cc1C.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2ccnc(C)c2)cc1.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2ccncc2C)cc1.

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

The InChIKey is KOPNMWAQNNNQMD-UHFFFAOYSA-O. The full InChI is InChI=1S/2C22H22N2O3S.C21H20N2O4S.C20H18N2O3S.12C2H6/c1-14-5-7-19(8-6-14)28(26,27)24-21-12-16(3)15(2)11-20(21)22(25)18-9-10-23-17(4)13-18;1-14-5-7-18(8-6-14)28(26,27)24-21-12-16(3)15(2)11-20(21)22(25)19-9-10-23-13-17(19)4;1-15-13-19(21(24)17-9-11-23(27-3)12-10-17)20(14-16(15)2)22-28(25,26)18-7-5-4-6-8-18;1-14-12-18(20(23)16-8-10-21-11-9-16)19(13-15(14)2)22-26(24,25)17-6-4-3-5-7-17;12*1-2/h2*5-13,24H,1-4H3;4-14H,1-3H3;3-13,22H,1-2H3;12*1-2H3/p+1.

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

N-[4,5-dimethyl-2-(2-methylpyridine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methylpyridine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxypyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide has a molecular weight of 1913.75 g/mol, XLogP of 27.42, 21 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-(2-methylpyridine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(3-methylpyridine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxypyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide is sourced from PubChem (CID 159195505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).