4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

C42H30Cl4F6N4O7S2 — CID 159989205

About 4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 159989205) has the molecular formula C42H30Cl4F6N4O7S2 and a molecular weight of 1022.66 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 159989205
• Molecular Formula: C42H30Cl4F6N4O7S2
• Molecular Weight: 1022.66 g/mol
• Exact Mass: 1020.02
• IUPAC Name: 4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
• SMILES: COCN(c1cc(C)cnc1C(=O)c1ccccc1Cl)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.Cc1cnc(C(=O)c2ccccc2Cl)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1
• InChI: InChI=1S/C22H17Cl2F3N2O4S.C20H13Cl2F3N2O3S/c1-13-9-19(20(28-11-13)21(30)15-5-3-4-6-17(15)23)29(12-33-2)34(31,32)14-7-8-18(24)16(10-14)22(25,26)27;1-11-8-17(18(26-10-11)19(28)13-4-2-3-5-15(13)21)27-31(29,30)12-6-7-16(22)14(9-12)20(23,24)25/h3-11H,12H2,1-2H3;2-10,27H,1H3
• InChIKey: OGSQNAGXXSCKTD-UHFFFAOYSA-N
• XLogP: 11.49
• TPSA: 152.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1022.66
LogP ≤ 5	11.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?

The IUPAC name of 4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 159989205) is 4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

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

The canonical SMILES for 4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is COCN(c1cc(C)cnc1C(=O)c1ccccc1Cl)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.Cc1cnc(C(=O)c2ccccc2Cl)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.

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

The InChIKey is OGSQNAGXXSCKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2F3N2O4S.C20H13Cl2F3N2O3S/c1-13-9-19(20(28-11-13)21(30)15-5-3-4-6-17(15)23)29(12-33-2)34(31,32)14-7-8-18(24)16(10-14)22(25,26)27;1-11-8-17(18(26-10-11)19(28)13-4-2-3-5-15(13)21)27-31(29,30)12-6-7-16(22)14(9-12)20(23,24)25/h3-11H,12H2,1-2H3;2-10,27H,1H3.

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

4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 1022.66 g/mol, XLogP of 11.49, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 159989205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).