3-cyano-4-[4-fluoro-2-(4-fluorophenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C22H13F2N3O3S2 — CID 71719288

IUPAC3-cyano-4-[4-fluoro-2-(4-fluorophenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(F)cc1-c1ccc(F)cc1
InChIInChI=1S/C22H13F2N3O3S2/c23-16-3-1-14(2-4-16)19-12-17(24)5-7-21(19)30-20-8-6-18(11-15(20)13-25)32(28,29)27-22-26-9-10-31-22/h1-12H,(H,26,27)
InChIKeyJHVBKMRFIYNWSU-UHFFFAOYSA-N
MW469.49 g/mol
LogP5.55
Rot. Bonds6

About 3-cyano-4-[4-fluoro-2-(4-fluorophenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

3-cyano-4-[4-fluoro-2-(4-fluorophenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71719288) has the molecular formula C22H13F2N3O3S2 and a molecular weight of 469.49 g/mol. Its IUPAC name is 3-cyano-4-[4-fluoro-2-(4-fluorophenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-[4-fluoro-2-(4-fluorophenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71719288
Molecular FormulaC22H13F2N3O3S2
Molecular Weight469.49 g/mol
Exact Mass469.04
IUPAC Name3-cyano-4-[4-fluoro-2-(4-fluorophenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(F)cc1-c1ccc(F)cc1
InChIInChI=1S/C22H13F2N3O3S2/c23-16-3-1-14(2-4-16)19-12-17(24)5-7-21(19)30-20-8-6-18(11-15(20)13-25)32(28,29)27-22-26-9-10-31-22/h1-12H,(H,26,27)
InChIKeyJHVBKMRFIYNWSU-UHFFFAOYSA-N
XLogP5.55
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.49
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyano-4-[4-fluoro-2-(4-fluorophenyl)phenoxy]-N-(1,3-thiazol-2-yl)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 3-cyano-4-[4-fluoro-2-(4-fluorophenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-4-[4-fluoro-2-(4-fluorophenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71719288) is 3-cyano-4-[4-fluoro-2-(4-fluorophenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-[4-fluoro-2-(4-fluorophenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-4-[4-fluoro-2-(4-fluorophenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(F)cc1-c1ccc(F)cc1.
What is the InChIKey of 3-cyano-4-[4-fluoro-2-(4-fluorophenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is JHVBKMRFIYNWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F2N3O3S2/c23-16-3-1-14(2-4-16)19-12-17(24)5-7-21(19)30-20-8-6-18(11-15(20)13-25)32(28,29)27-22-26-9-10-31-22/h1-12H,(H,26,27).
What are the key properties of 3-cyano-4-[4-fluoro-2-(4-fluorophenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3-cyano-4-[4-fluoro-2-(4-fluorophenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 469.49 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-[4-fluoro-2-(4-fluorophenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71719288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).