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

C44H38Cl2F6N6O7S2 — CID 159735316

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

4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 159735316) has the molecular formula C44H38Cl2F6N6O7S2 and a molecular weight of 1011.85 g/mol. Its IUPAC name is 4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 159735316
• Molecular Formula: C44H38Cl2F6N6O7S2
• Molecular Weight: 1011.85 g/mol
• Exact Mass: 1010.15
• IUPAC Name: 4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
• SMILES: COCN(c1cc(C)cnc1C(=O)c1c(C)ccnc1C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.Cc1cnc(C(=O)c2c(C)ccnc2C)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1
• InChI: InChI=1S/C23H21ClF3N3O4S.C21H17ClF3N3O3S/c1-13-9-19(21(29-11-13)22(31)20-14(2)7-8-28-15(20)3)30(12-34-4)35(32,33)16-5-6-18(24)17(10-16)23(25,26)27;1-11-8-17(19(27-10-11)20(29)18-12(2)6-7-26-13(18)3)28-32(30,31)14-4-5-16(22)15(9-14)21(23,24)25/h5-11H,12H2,1-4H3;4-10,28H,1-3H3
• InChIKey: NBTNIAHFOFUXMV-UHFFFAOYSA-N
• XLogP: 10.21
• TPSA: 178.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1011.85
LogP ≤ 5	10.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

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

The IUPAC name of 4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 159735316) is 4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

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

The canonical SMILES for 4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is COCN(c1cc(C)cnc1C(=O)c1c(C)ccnc1C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.Cc1cnc(C(=O)c2c(C)ccnc2C)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.

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

The InChIKey is NBTNIAHFOFUXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF3N3O4S.C21H17ClF3N3O3S/c1-13-9-19(21(29-11-13)22(31)20-14(2)7-8-28-15(20)3)30(12-34-4)35(32,33)16-5-6-18(24)17(10-16)23(25,26)27;1-11-8-17(19(27-10-11)20(29)18-12(2)6-7-26-13(18)3)28-32(30,31)14-4-5-16(22)15(9-14)21(23,24)25/h5-11H,12H2,1-4H3;4-10,28H,1-3H3.

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

4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 1011.85 g/mol, XLogP of 10.21, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 159735316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).