4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-6-methyl-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;methane

C46H40Cl4F6N4O7S3 — CID 157159692

About 4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-6-methyl-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;methane

4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-6-methyl-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;methane (PubChem CID 157159692) has the molecular formula C46H40Cl4F6N4O7S3 and a molecular weight of 1112.85 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-6-methyl-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;methane.

Molecular Properties

• Compound Name: 4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-6-methyl-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;methane
• PubChem CID: 157159692
• Molecular Formula: C46H40Cl4F6N4O7S3
• Molecular Weight: 1112.85 g/mol
• Exact Mass: 1110.07
• IUPAC Name: 4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-6-methyl-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;methane
• SMILES: C.CCc1ccccc1C(=O)c1nc(C)c(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.COCN(c1cc(Cl)c(C)nc1C(=O)c1ccccc1SC)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
• InChI: InChI=1S/C23H19Cl2F3N2O4S2.C22H17Cl2F3N2O3S.CH4/c1-13-18(25)11-19(21(29-13)22(31)15-6-4-5-7-20(15)35-3)30(12-34-2)36(32,33)14-8-9-17(24)16(10-14)23(26,27)28;1-3-13-6-4-5-7-15(13)21(30)20-19(11-18(24)12(2)28-20)29-33(31,32)14-8-9-17(23)16(10-14)22(25,26)27;/h4-11H,12H2,1-3H3;4-11,29H,3H2,1-2H3;1H4
• InChIKey: AMFKPEFDQPOUBY-UHFFFAOYSA-N
• XLogP: 13.41
• TPSA: 152.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1112.85
LogP ≤ 5	13.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-6-methyl-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;methane?

The IUPAC name of 4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-6-methyl-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;methane (CID 157159692) is 4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-6-methyl-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;methane.

What is the SMILES notation for 4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-6-methyl-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;methane?

The canonical SMILES for 4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-6-methyl-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;methane is C.CCc1ccccc1C(=O)c1nc(C)c(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.COCN(c1cc(Cl)c(C)nc1C(=O)c1ccccc1SC)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.

What is the InChIKey of 4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-6-methyl-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;methane?

The InChIKey is AMFKPEFDQPOUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2F3N2O4S2.C22H17Cl2F3N2O3S.CH4/c1-13-18(25)11-19(21(29-13)22(31)15-6-4-5-7-20(15)35-3)30(12-34-2)36(32,33)14-8-9-17(24)16(10-14)23(26,27)28;1-3-13-6-4-5-7-15(13)21(30)20-19(11-18(24)12(2)28-20)29-33(31,32)14-8-9-17(23)16(10-14)22(25,26)27;/h4-11H,12H2,1-3H3;4-11,29H,3H2,1-2H3;1H4.

What are the key properties of 4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-6-methyl-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;methane?

4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-6-methyl-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;methane has a molecular weight of 1112.85 g/mol, XLogP of 13.41, 14 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[5-chloro-2-(2-ethylbenzoyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-6-methyl-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;methane is sourced from PubChem (CID 157159692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).