4-[2-(4-cyanophenyl)-1,3-thiazol-4-yl]benzenesulfonamide

C16H11N3O2S2 — CID 166436069

IUPAC4-[2-(4-cyanophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
SMILESN#Cc1ccc(-c2nc(-c3ccc(S(N)(=O)=O)cc3)cs2)cc1
InChIInChI=1S/C16H11N3O2S2/c17-9-11-1-3-13(4-2-11)16-19-15(10-22-16)12-5-7-14(8-6-12)23(18,20)21/h1-8,10H,(H2,18,20,21)
InChIKeyUEFNOYARYDEHGB-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.00
Rot. Bonds3

About 4-[2-(4-cyanophenyl)-1,3-thiazol-4-yl]benzenesulfonamide

4-[2-(4-cyanophenyl)-1,3-thiazol-4-yl]benzenesulfonamide (PubChem CID 166436069) has the molecular formula C16H11N3O2S2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-[2-(4-cyanophenyl)-1,3-thiazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-cyanophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
PubChem CID166436069
Molecular FormulaC16H11N3O2S2
Molecular Weight341.42 g/mol
Exact Mass341.03
IUPAC Name4-[2-(4-cyanophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
SMILESN#Cc1ccc(-c2nc(-c3ccc(S(N)(=O)=O)cc3)cs2)cc1
InChIInChI=1S/C16H11N3O2S2/c17-9-11-1-3-13(4-2-11)16-19-15(10-22-16)12-5-7-14(8-6-12)23(18,20)21/h1-8,10H,(H2,18,20,21)
InChIKeyUEFNOYARYDEHGB-UHFFFAOYSA-N
XLogP3.00
TPSA96.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-aminophenyl)-1,3-thiazol-4-yl]benzonitrile
CID 43667845
4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 43173625
4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 60620531
4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 60620529
4-(4-benzyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 122140615
4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11688891
4-(2-chloro-1,3-thiazol-4-yl)benzonitrile
CID 62942163
4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 2441401
3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile
CID 55219786
4-[2-(2,2,2-trifluoroethylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 51107739
4-[2-(2-phenylethyl)-1,3-thiazol-4-yl]benzonitrile
CID 61223904
4-[2-[2-[(4-nitrophenyl)methylsulfanyl]-4-pyridinyl]-1,3-thiazol-4-yl]benzonitrile
CID 103597594

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyanophenyl)-1,3-thiazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-cyanophenyl)-1,3-thiazol-4-yl]benzenesulfonamide (CID 166436069) is 4-[2-(4-cyanophenyl)-1,3-thiazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-cyanophenyl)-1,3-thiazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-cyanophenyl)-1,3-thiazol-4-yl]benzenesulfonamide is N#Cc1ccc(-c2nc(-c3ccc(S(N)(=O)=O)cc3)cs2)cc1.
What is the InChIKey of 4-[2-(4-cyanophenyl)-1,3-thiazol-4-yl]benzenesulfonamide?
The InChIKey is UEFNOYARYDEHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S2/c17-9-11-1-3-13(4-2-11)16-19-15(10-22-16)12-5-7-14(8-6-12)23(18,20)21/h1-8,10H,(H2,18,20,21).
What are the key properties of 4-[2-(4-cyanophenyl)-1,3-thiazol-4-yl]benzenesulfonamide?
4-[2-(4-cyanophenyl)-1,3-thiazol-4-yl]benzenesulfonamide has a molecular weight of 341.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyanophenyl)-1,3-thiazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 166436069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).