4-[5-cyano-2-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]benzenesulfonamide

C24H17FN4O3S — CID 70273806

IUPAC4-[5-cyano-2-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)nc1OCc1cccnc1
InChIInChI=1S/C24H17FN4O3S/c25-20-7-3-18(4-8-20)23-22(17-5-9-21(10-6-17)33(27,30)31)12-19(13-26)24(29-23)32-15-16-2-1-11-28-14-16/h1-12,14H,15H2,(H2,27,30,31)
InChIKeyXVSNRJWEHNIRAS-UHFFFAOYSA-N
MW460.49 g/mol
LogP4.05
Rot. Bonds6

About 4-[5-cyano-2-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]benzenesulfonamide

4-[5-cyano-2-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]benzenesulfonamide (PubChem CID 70273806) has the molecular formula C24H17FN4O3S and a molecular weight of 460.49 g/mol. Its IUPAC name is 4-[5-cyano-2-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-cyano-2-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]benzenesulfonamide
PubChem CID70273806
Molecular FormulaC24H17FN4O3S
Molecular Weight460.49 g/mol
Exact Mass460.10
IUPAC Name4-[5-cyano-2-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)nc1OCc1cccnc1
InChIInChI=1S/C24H17FN4O3S/c25-20-7-3-18(4-8-20)23-22(17-5-9-21(10-6-17)33(27,30)31)12-19(13-26)24(29-23)32-15-16-2-1-11-28-14-16/h1-12,14H,15H2,(H2,27,30,31)
InChIKeyXVSNRJWEHNIRAS-UHFFFAOYSA-N
XLogP4.05
TPSA118.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-cyano-2-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)-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

Related Compounds

ethane;6-(4-fluorophenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile
CID 143049750
6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-pent-2-en-3-yloxypyridine-3-carbonitrile
CID 70273625
N-[5-(4-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23076151
2-bromo-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile
CID 10296372
4-fluoro-N-[3-(pyridin-3-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23075789
6-(4-ethylphenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile
CID 70271927
4-[2-(cyanomethyl)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
CID 22912337
4-fluoro-2-(pyridin-3-yloxymethyl)benzonitrile
CID 114014859
[2-butoxy-6-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-3-pyridinyl] pentanoate
CID 57112134
N-[5-cyano-6-(cyclopropylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
CID 23217928
N-[5-cyano-6-(cyclopentylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
CID 23218040
2-(4-ethylsulfonylphenyl)-N-[4-(4-fluorophenyl)-5-pyridin-3-ylpyrimidin-2-yl]acetamide
CID 78323482

Frequently Asked Questions

What is the IUPAC name of 4-[5-cyano-2-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-[5-cyano-2-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]benzenesulfonamide (CID 70273806) is 4-[5-cyano-2-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-[5-cyano-2-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-[5-cyano-2-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]benzenesulfonamide is N#Cc1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)nc1OCc1cccnc1.
What is the InChIKey of 4-[5-cyano-2-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]benzenesulfonamide?
The InChIKey is XVSNRJWEHNIRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O3S/c25-20-7-3-18(4-8-20)23-22(17-5-9-21(10-6-17)33(27,30)31)12-19(13-26)24(29-23)32-15-16-2-1-11-28-14-16/h1-12,14H,15H2,(H2,27,30,31).
What are the key properties of 4-[5-cyano-2-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]benzenesulfonamide?
4-[5-cyano-2-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]benzenesulfonamide has a molecular weight of 460.49 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-cyano-2-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 70273806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).