4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-3-cyanobenzenesulfonamide

C21H13ClFN5O3S2 — CID 71716243

IUPAC4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-3-cyanobenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(F)cc1-c1ccnc(N)c1
InChIInChI=1S/C21H13ClFN5O3S2/c22-19-11-27-21(32-19)28-33(29,30)15-2-4-17(13(7-15)10-24)31-18-3-1-14(23)9-16(18)12-5-6-26-20(25)8-12/h1-9,11H,(H2,25,26)(H,27,28)
InChIKeyYQULFLJWGHJWBJ-UHFFFAOYSA-N
MW501.95 g/mol
LogP5.04
Rot. Bonds6

About 4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-3-cyanobenzenesulfonamide

4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-3-cyanobenzenesulfonamide (PubChem CID 71716243) has the molecular formula C21H13ClFN5O3S2 and a molecular weight of 501.95 g/mol. Its IUPAC name is 4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-3-cyanobenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-3-cyanobenzenesulfonamide
PubChem CID71716243
Molecular FormulaC21H13ClFN5O3S2
Molecular Weight501.95 g/mol
Exact Mass501.01
IUPAC Name4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-3-cyanobenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(F)cc1-c1ccnc(N)c1
InChIInChI=1S/C21H13ClFN5O3S2/c22-19-11-27-21(32-19)28-33(29,30)15-2-4-17(13(7-15)10-24)31-18-3-1-14(23)9-16(18)12-5-6-26-20(25)8-12/h1-9,11H,(H2,25,26)(H,27,28)
InChIKeyYQULFLJWGHJWBJ-UHFFFAOYSA-N
XLogP5.04
TPSA130.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.95
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-(6-aminopyridin-3-yl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-3-cyanobenzenesulfonamide
CID 46700763
4-[2-(2-aminopyridin-4-yl)-4-chlorophenoxy]-2,5-difluoro-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide
CID 46840818
4-{4-Chloro-2-[2-(dimethylamino)pyridin-4-yl]phenoxy}-3-cyano-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide
CID 46841786
4-{2-[2-(Azetidin-1-ylmethyl)pyridin-4-yl]-4-chlorophenoxy}-2,5-difluoro-N-1,3-thiazol-4-ylbenzenesulfonamide
CID 46841935
4-[4-chloro-2-(2-piperazin-1-yl-4-pyridinyl)phenoxy]-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 59436502
4-(4-chloro-2-pyrazin-2-ylphenoxy)-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716184
3-cyano-4-[4-fluoro-2-(6-methoxy-3-pyridinyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716252
4-[2-(6-amino-3-pyridinyl)-4-chlorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716267
4-[4-chloro-2-(2-piperazin-1-yl-4-pyridinyl)phenoxy]-3-cyano-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 71716290
3-cyano-4-[2-pyridin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716888
3-cyano-N-(1,3-thiazol-2-yl)-4-[4-[4-(trifluoromethyl)pyridin-2-yl]phenoxy]benzenesulfonamide
CID 71717428
4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-3-cyano-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71717442

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-3-cyanobenzenesulfonamide?
The IUPAC name of 4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-3-cyanobenzenesulfonamide (CID 71716243) is 4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-3-cyanobenzenesulfonamide.
What is the SMILES notation for 4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-3-cyanobenzenesulfonamide?
The canonical SMILES for 4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-3-cyanobenzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(F)cc1-c1ccnc(N)c1.
What is the InChIKey of 4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-3-cyanobenzenesulfonamide?
The InChIKey is YQULFLJWGHJWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN5O3S2/c22-19-11-27-21(32-19)28-33(29,30)15-2-4-17(13(7-15)10-24)31-18-3-1-14(23)9-16(18)12-5-6-26-20(25)8-12/h1-9,11H,(H2,25,26)(H,27,28).
What are the key properties of 4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-3-cyanobenzenesulfonamide?
4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-3-cyanobenzenesulfonamide has a molecular weight of 501.95 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-3-cyanobenzenesulfonamide is sourced from PubChem (CID 71716243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).