4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide

C17H13N3O3S2 — CID 2441401

IUPAC4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(-c2csc(NS(=O)(=O)c3ccc(C#N)cc3)n2)cc1
InChIInChI=1S/C17H13N3O3S2/c1-23-14-6-4-13(5-7-14)16-11-24-17(19-16)20-25(21,22)15-8-2-12(10-18)3-9-15/h2-9,11H,1H3,(H,19,20)
InChIKeyVEGKAYUGZUOJLH-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.49
Rot. Bonds5

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

4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 2441401) has the molecular formula C17H13N3O3S2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID2441401
Molecular FormulaC17H13N3O3S2
Molecular Weight371.44 g/mol
Exact Mass371.04
IUPAC Name4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(-c2csc(NS(=O)(=O)c3ccc(C#N)cc3)n2)cc1
InChIInChI=1S/C17H13N3O3S2/c1-23-14-6-4-13(5-7-14)16-11-24-17(19-16)20-25(21,22)15-8-2-12(10-18)3-9-15/h2-9,11H,1H3,(H,19,20)
InChIKeyVEGKAYUGZUOJLH-UHFFFAOYSA-N
XLogP3.49
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

Analyze 4-cyano-N-[4-(4-methoxyphenyl)-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

Related Compounds

(2R)-1-(4-cyanophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 53488280
4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
CID 17446227
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8718906
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzenesulfonamide
CID 19203791
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzenesulfonamide
CID 28861656
3-cyano-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 112799239
4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 1359200
3-cyano-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 35395974
methyl 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]benzoate
CID 154749823
4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 656127
N-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17398323

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 2441401) is 4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide is COc1ccc(-c2csc(NS(=O)(=O)c3ccc(C#N)cc3)n2)cc1.
What is the InChIKey of 4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is VEGKAYUGZUOJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S2/c1-23-14-6-4-13(5-7-14)16-11-24-17(19-16)20-25(21,22)15-8-2-12(10-18)3-9-15/h2-9,11H,1H3,(H,19,20).
What are the key properties of 4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 371.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 2441401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).