4-chloro-N-[5-chloro-2-(3-methylsulfonylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

C20H13Cl2F3N2O5S2 — CID 11555803

IUPAC4-chloro-N-[5-chloro-2-(3-methylsulfonylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1cccc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C20H13Cl2F3N2O5S2/c1-33(29,30)13-4-2-3-11(7-13)19(28)18-17(8-12(21)10-26-18)27-34(31,32)14-5-6-16(22)15(9-14)20(23,24)25/h2-10,27H,1H3
InChIKeyUHDMOAHIQRMPKA-UHFFFAOYSA-N
MW553.37 g/mol
LogP4.84
Rot. Bonds6

About 4-chloro-N-[5-chloro-2-(3-methylsulfonylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[5-chloro-2-(3-methylsulfonylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 11555803) has the molecular formula C20H13Cl2F3N2O5S2 and a molecular weight of 553.37 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(3-methylsulfonylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-(3-methylsulfonylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID11555803
Molecular FormulaC20H13Cl2F3N2O5S2
Molecular Weight553.37 g/mol
Exact Mass551.96
IUPAC Name4-chloro-N-[5-chloro-2-(3-methylsulfonylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1cccc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C20H13Cl2F3N2O5S2/c1-33(29,30)13-4-2-3-11(7-13)19(28)18-17(8-12(21)10-26-18)27-34(31,32)14-5-6-16(22)15(9-14)20(23,24)25/h2-10,27H,1H3
InChIKeyUHDMOAHIQRMPKA-UHFFFAOYSA-N
XLogP4.84
TPSA110.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.37
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[5-chloro-2-(3-methylsulfonylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-Chloro-2-(2-methyl-pyridine-3-carbonyl)-phenyl]-4-methanesulfonyl-benzenesulfonamide
CID 10367204
US9394307, 4-chloro-N-(2-{5-methoxy-1H,3aH,7aH-pyrrolo[2,3-b]pyridine-4-carbonyl}-5-methylpyridin-3-yl)-3-(trifluoromethyl)benzene-1-sulfonamide
CID 57870811
US9394307, N-(2-{1H,3aH,7aH-pyrrolo[2,3-b]pyridine-4-carbonyl}-5-chloropyridin-3-yl)-4-chloro-3-(trifluoromethyl)benzene-1-sulfonamide
CID 57870818
US10385022, Example 296
CID 70663387
4-chloro-N-[5-chloro-2-(2-methylsulfinylbenzoyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11497499
4-chloro-N-[5-chloro-2-(2-methyl-6-methylsulfonylbenzoyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11497819
4-chloro-N-[5-chloro-2-(3-methylbenzoyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554926
4-Chloro-N-[5-chloro-2-(2-methyl-pyridine-3-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
CID 11554943
4-Chloro-N-[5-chloro-2-(6-methyl-pyridine-3-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
CID 11554944
4-chloro-N-[5-chloro-2-(2-fluorobenzoyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554992
4-chloro-N-[5-chloro-2-(1-oxidopyridin-1-ium-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11562266
4-chloro-N-[5-chloro-2-(3-chlorobenzoyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11577085

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-(3-methylsulfonylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-(3-methylsulfonylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 11555803) is 4-chloro-N-[5-chloro-2-(3-methylsulfonylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-(3-methylsulfonylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-(3-methylsulfonylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is CS(=O)(=O)c1cccc(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-(3-methylsulfonylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UHDMOAHIQRMPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F3N2O5S2/c1-33(29,30)13-4-2-3-11(7-13)19(28)18-17(8-12(21)10-26-18)27-34(31,32)14-5-6-16(22)15(9-14)20(23,24)25/h2-10,27H,1H3.
What are the key properties of 4-chloro-N-[5-chloro-2-(3-methylsulfonylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[5-chloro-2-(3-methylsulfonylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 553.37 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-(3-methylsulfonylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 11555803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).