3-cyano-4-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C22H15FN4O4S2 — CID 71716252

IUPAC3-cyano-4-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(-c2cc(F)ccc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cn1
InChIInChI=1S/C22H15FN4O4S2/c1-30-21-7-2-14(13-26-21)18-11-16(23)3-5-20(18)31-19-6-4-17(10-15(19)12-24)33(28,29)27-22-25-8-9-32-22/h2-11,13H,1H3,(H,25,27)
InChIKeyIPYCVSIXTVHHLE-UHFFFAOYSA-N
MW482.52 g/mol
LogP4.82
Rot. Bonds7

About 3-cyano-4-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

3-cyano-4-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71716252) has the molecular formula C22H15FN4O4S2 and a molecular weight of 482.52 g/mol. Its IUPAC name is 3-cyano-4-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71716252
Molecular FormulaC22H15FN4O4S2
Molecular Weight482.52 g/mol
Exact Mass482.05
IUPAC Name3-cyano-4-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(-c2cc(F)ccc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cn1
InChIInChI=1S/C22H15FN4O4S2/c1-30-21-7-2-14(13-26-21)18-11-16(23)3-5-20(18)31-19-6-4-17(10-15(19)12-24)33(28,29)27-22-25-8-9-32-22/h2-11,13H,1H3,(H,25,27)
InChIKeyIPYCVSIXTVHHLE-UHFFFAOYSA-N
XLogP4.82
TPSA114.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-cyano-4-(2-(1-methyl-1H-pyrazol-5-yl)phenoxy)-N-(thiazol-2-yl)benzenesulfonamide
CID 71718072
(4R)-4-[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 156009730
4-[2-(6-aminopyridin-3-yl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-3-cyanobenzenesulfonamide
CID 46700763
3-cyano-4-[2-(1-methyl-1H-pyrazol-5-yl)-4-(trifluoromethoxy)phenoxy]-N-1,3-thiazol-2-ylbenzenesulfonamide
CID 46840814
4-(4-chloro-2-pyrazin-2-ylphenoxy)-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716184
3-cyano-4-[4-fluoro-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716197
3-cyano-4-[4-fluoro-2-(3-methoxyphenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716219
4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-3-cyanobenzenesulfonamide
CID 71716243
3-cyano-4-[4-fluoro-2-[3-(methoxymethyl)phenyl]phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716244
3-cyano-4-[4-[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-3-fluorophenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716813
3-cyano-4-[2-(3,4-difluorophenyl)-4-fluorophenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716820
3-cyano-4-[2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716835

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-4-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71716252) is 3-cyano-4-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-4-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is COc1ccc(-c2cc(F)ccc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cn1.
What is the InChIKey of 3-cyano-4-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is IPYCVSIXTVHHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O4S2/c1-30-21-7-2-14(13-26-21)18-11-16(23)3-5-20(18)31-19-6-4-17(10-15(19)12-24)33(28,29)27-22-25-8-9-32-22/h2-11,13H,1H3,(H,25,27).
What are the key properties of 3-cyano-4-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3-cyano-4-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 482.52 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71716252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).