N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-3-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide

C106H148N10O14S4+2 — CID 159765320

About N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-3-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide

N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-3-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide (PubChem CID 159765320) has the molecular formula C106H148N10O14S4+2 and a molecular weight of 1914.67 g/mol. Its IUPAC name is N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-3-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-3-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide
• PubChem CID: 159765320
• Molecular Formula: C106H148N10O14S4+2
• Molecular Weight: 1914.67 g/mol
• Exact Mass: 1913.00
• IUPAC Name: N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-3-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CO[n+]1ccc(C(=O)c2cc(C)c(C)cc2NS(=O)(=O)c2ccc(C)cc2)c(C)c1.CO[n+]1ccc(C(=O)c2cc(C)c(C)cc2NS(=O)(=O)c2ccc(C)cc2)cc1C.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2cccnn2)cc1.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2ccncn2)cc1
• InChI: InChI=1S/2C23H24N2O4S.2C20H19N3O3S.10C2H6/c1-15-6-8-20(9-7-15)30(27,28)24-22-13-17(3)16(2)12-21(22)23(26)19-10-11-25(29-5)18(4)14-19;1-15-6-8-19(9-7-15)30(27,28)24-22-13-17(3)16(2)12-21(22)23(26)20-10-11-25(29-5)14-18(20)4;1-13-4-6-16(7-5-13)27(25,26)23-19-11-15(3)14(2)10-17(19)20(24)18-8-9-21-12-22-18;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;10*1-2/h2*6-14H,1-5H3;2*4-12,23H,1-3H3;10*1-2H3/p+2
• InChIKey: NFKPJCBRYLZKGS-UHFFFAOYSA-P
• XLogP: 23.73
• TPSA: 330.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1914.67
LogP ≤ 5	23.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

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-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-3-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide?

The IUPAC name of N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-3-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide (CID 159765320) is N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-3-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide.

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

The canonical SMILES for N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-3-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CO[n+]1ccc(C(=O)c2cc(C)c(C)cc2NS(=O)(=O)c2ccc(C)cc2)c(C)c1.CO[n+]1ccc(C(=O)c2cc(C)c(C)cc2NS(=O)(=O)c2ccc(C)cc2)cc1C.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2cccnn2)cc1.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2ccncn2)cc1.

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

The InChIKey is NFKPJCBRYLZKGS-UHFFFAOYSA-P. The full InChI is InChI=1S/2C23H24N2O4S.2C20H19N3O3S.10C2H6/c1-15-6-8-20(9-7-15)30(27,28)24-22-13-17(3)16(2)12-21(22)23(26)19-10-11-25(29-5)18(4)14-19;1-15-6-8-19(9-7-15)30(27,28)24-22-13-17(3)16(2)12-21(22)23(26)20-10-11-25(29-5)14-18(20)4;1-13-4-6-16(7-5-13)27(25,26)23-19-11-15(3)14(2)10-17(19)20(24)18-8-9-21-12-22-18;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;10*1-2/h2*6-14H,1-5H3;2*4-12,23H,1-3H3;10*1-2H3/p+2.

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

N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-3-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide has a molecular weight of 1914.67 g/mol, XLogP of 23.73, 22 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4,5-dimethyl-2-(pyridazine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyrimidine-4-carbonyl)phenyl]-4-methylbenzenesulfonamide;ethane;N-[2-(1-methoxy-2-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-3-methylpyridin-1-ium-4-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 159765320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).