4-[6-[(4-chlorophenyl)methoxy]-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide

C25H17ClFN3O3S — CID 70274028

IUPAC4-[6-[(4-chlorophenyl)methoxy]-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)nc1OCc1ccc(Cl)cc1
InChIInChI=1S/C25H17ClFN3O3S/c26-20-7-1-16(2-8-20)15-33-25-19(14-28)13-23(17-5-11-22(12-6-17)34(29,31)32)24(30-25)18-3-9-21(27)10-4-18/h1-13H,15H2,(H2,29,31,32)
InChIKeyUCDZOFVVHSVHTK-UHFFFAOYSA-N
MW493.95 g/mol
LogP5.31
Rot. Bonds6

About 4-[6-[(4-chlorophenyl)methoxy]-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide

4-[6-[(4-chlorophenyl)methoxy]-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 70274028) has the molecular formula C25H17ClFN3O3S and a molecular weight of 493.95 g/mol. Its IUPAC name is 4-[6-[(4-chlorophenyl)methoxy]-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[6-[(4-chlorophenyl)methoxy]-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
PubChem CID70274028
Molecular FormulaC25H17ClFN3O3S
Molecular Weight493.95 g/mol
Exact Mass493.07
IUPAC Name4-[6-[(4-chlorophenyl)methoxy]-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)nc1OCc1ccc(Cl)cc1
InChIInChI=1S/C25H17ClFN3O3S/c26-20-7-1-16(2-8-20)15-33-25-19(14-28)13-23(17-5-11-22(12-6-17)34(29,31)32)24(30-25)18-3-9-21(27)10-4-18/h1-13H,15H2,(H2,29,31,32)
InChIKeyUCDZOFVVHSVHTK-UHFFFAOYSA-N
XLogP5.31
TPSA106.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.95
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[6-[(4-chlorophenyl)methoxy]-5-cyano-2-(4-fluorophenyl)-3-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-[6-[(4-chlorophenyl)methoxy]-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-[6-[(4-chlorophenyl)methoxy]-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide (CID 70274028) is 4-[6-[(4-chlorophenyl)methoxy]-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-[6-[(4-chlorophenyl)methoxy]-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-[6-[(4-chlorophenyl)methoxy]-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide is N#Cc1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)nc1OCc1ccc(Cl)cc1.
What is the InChIKey of 4-[6-[(4-chlorophenyl)methoxy]-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is UCDZOFVVHSVHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClFN3O3S/c26-20-7-1-16(2-8-20)15-33-25-19(14-28)13-23(17-5-11-22(12-6-17)34(29,31)32)24(30-25)18-3-9-21(27)10-4-18/h1-13H,15H2,(H2,29,31,32).
What are the key properties of 4-[6-[(4-chlorophenyl)methoxy]-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
4-[6-[(4-chlorophenyl)methoxy]-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 493.95 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-chlorophenyl)methoxy]-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 70274028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).