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

C42H28Cl6F6N4O7S2 — CID 157318292

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

4-chloro-N-[5-chloro-2-(2-chloro-5-methylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-chloro-5-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 157318292) has the molecular formula C42H28Cl6F6N4O7S2 and a molecular weight of 1091.55 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(2-chloro-5-methylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-chloro-5-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[5-chloro-2-(2-chloro-5-methylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-chloro-5-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 157318292
• Molecular Formula: C42H28Cl6F6N4O7S2
• Molecular Weight: 1091.55 g/mol
• Exact Mass: 1087.94
• IUPAC Name: 4-chloro-N-[5-chloro-2-(2-chloro-5-methylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-chloro-5-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
• SMILES: COCN(c1cc(Cl)cnc1C(=O)c1cc(C)ccc1Cl)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.Cc1ccc(Cl)c(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1
• InChI: InChI=1S/C22H16Cl3F3N2O4S.C20H12Cl3F3N2O3S/c1-12-3-5-17(24)15(7-12)21(31)20-19(8-13(23)10-29-20)30(11-34-2)35(32,33)14-4-6-18(25)16(9-14)22(26,27)28;1-10-2-4-15(22)13(6-10)19(29)18-17(7-11(21)9-27-18)28-32(30,31)12-3-5-16(23)14(8-12)20(24,25)26/h3-10H,11H2,1-2H3;2-9,28H,1H3
• InChIKey: BDWBKJKVWMWBDF-UHFFFAOYSA-N
• XLogP: 12.80
• TPSA: 152.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1091.55
LogP ≤ 5	12.80
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-[5-chloro-2-(2-chloro-5-methylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-chloro-5-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?

The IUPAC name of 4-chloro-N-[5-chloro-2-(2-chloro-5-methylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-chloro-5-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 157318292) is 4-chloro-N-[5-chloro-2-(2-chloro-5-methylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-chloro-5-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

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

The canonical SMILES for 4-chloro-N-[5-chloro-2-(2-chloro-5-methylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-chloro-5-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is COCN(c1cc(Cl)cnc1C(=O)c1cc(C)ccc1Cl)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.Cc1ccc(Cl)c(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.

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

The InChIKey is BDWBKJKVWMWBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3F3N2O4S.C20H12Cl3F3N2O3S/c1-12-3-5-17(24)15(7-12)21(31)20-19(8-13(23)10-29-20)30(11-34-2)35(32,33)14-4-6-18(25)16(9-14)22(26,27)28;1-10-2-4-15(22)13(6-10)19(29)18-17(7-11(21)9-27-18)28-32(30,31)12-3-5-16(23)14(8-12)20(24,25)26/h3-10H,11H2,1-2H3;2-9,28H,1H3.

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

4-chloro-N-[5-chloro-2-(2-chloro-5-methylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-chloro-5-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 1091.55 g/mol, XLogP of 12.80, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[5-chloro-2-(2-chloro-5-methylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-chloro-5-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 157318292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).