4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide

C42H28Cl6F8N4O8S2 — CID 157268799

About 4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 157268799) has the molecular formula C42H28Cl6F8N4O8S2 and a molecular weight of 1145.54 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 157268799
• Molecular Formula: C42H28Cl6F8N4O8S2
• Molecular Weight: 1145.54 g/mol
• Exact Mass: 1141.94
• IUPAC Name: 4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
• SMILES: COCN(c1cc(Cl)cnc1C(=O)c1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.COCN(c1cc(Cl)cnc1C(O)c1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
• InChI: InChI=1S/C21H15Cl3F4N2O4S.C21H13Cl3F4N2O4S/c2*1-34-10-30(35(32,33)12-5-6-14(23)13(8-12)21(26,27)28)17-7-11(22)9-29-19(17)20(31)18-15(24)3-2-4-16(18)25/h2-9,20,31H,10H2,1H3;2-9H,10H2,1H3
• InChIKey: AYHKPDBABMXBOM-UHFFFAOYSA-N
• XLogP: 12.31
• TPSA: 156.30 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	1145.54
LogP ≤ 5	12.31
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-chloro-6-fluorobenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

The IUPAC name of 4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 157268799) is 4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide.

What is the SMILES notation for 4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

The canonical SMILES for 4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide is COCN(c1cc(Cl)cnc1C(=O)c1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.COCN(c1cc(Cl)cnc1C(O)c1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.

What is the InChIKey of 4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

The InChIKey is AYHKPDBABMXBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl3F4N2O4S.C21H13Cl3F4N2O4S/c2*1-34-10-30(35(32,33)12-5-6-14(23)13(8-12)21(26,27)28)17-7-11(22)9-29-19(17)20(31)18-15(24)3-2-4-16(18)25/h2-9,20,31H,10H2,1H3;2-9H,10H2,1H3.

What are the key properties of 4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 1145.54 g/mol, XLogP of 12.31, 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-chloro-6-fluorobenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 157268799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).