4-[3-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide

C19H14ClF3N2O3S — CID 23355263

IUPAC4-[3-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide
SMILESCOc1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Cl)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C19H14ClF3N2O3S/c1-28-16-10-15(11-4-8-14(9-5-11)29(24,26)27)17(18(25-16)19(21,22)23)12-2-6-13(20)7-3-12/h2-10H,1H3,(H2,24,26,27)
InChIKeyUCCJJOFKCAQZGX-UHFFFAOYSA-N
MW442.85 g/mol
LogP4.74
Rot. Bonds4

About 4-[3-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide

4-[3-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide (PubChem CID 23355263) has the molecular formula C19H14ClF3N2O3S and a molecular weight of 442.85 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide
PubChem CID23355263
Molecular FormulaC19H14ClF3N2O3S
Molecular Weight442.85 g/mol
Exact Mass442.04
IUPAC Name4-[3-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide
SMILESCOc1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Cl)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C19H14ClF3N2O3S/c1-28-16-10-15(11-4-8-14(9-5-11)29(24,26)27)17(18(25-16)19(21,22)23)12-2-6-13(20)7-3-12/h2-10H,1H3,(H2,24,26,27)
InChIKeyUCCJJOFKCAQZGX-UHFFFAOYSA-N
XLogP4.74
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.85
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide (CID 23355263) is 4-[3-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide is COc1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Cl)cc2)c(C(F)(F)F)n1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide?
The InChIKey is UCCJJOFKCAQZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O3S/c1-28-16-10-15(11-4-8-14(9-5-11)29(24,26)27)17(18(25-16)19(21,22)23)12-2-6-13(20)7-3-12/h2-10H,1H3,(H2,24,26,27).
What are the key properties of 4-[3-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide?
4-[3-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide has a molecular weight of 442.85 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 23355263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).