4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)benzenesulfonamide

C16H14N2O2S2 — CID 10019555

IUPAC4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)benzenesulfonamide
SMILESCc1nc(-c2ccccc2)c(-c2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C16H14N2O2S2/c1-11-18-15(12-5-3-2-4-6-12)16(21-11)13-7-9-14(10-8-13)22(17,19)20/h2-10H,1H3,(H2,17,19,20)
InChIKeyCVPSIMWFHZLLEZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.43
Rot. Bonds3

About 4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)benzenesulfonamide

4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)benzenesulfonamide (PubChem CID 10019555) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)benzenesulfonamide
PubChem CID10019555
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC Name4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)benzenesulfonamide
SMILESCc1nc(-c2ccccc2)c(-c2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C16H14N2O2S2/c1-11-18-15(12-5-3-2-4-6-12)16(21-11)13-7-9-14(10-8-13)22(17,19)20/h2-10H,1H3,(H2,17,19,20)
InChIKeyCVPSIMWFHZLLEZ-UHFFFAOYSA-N
XLogP3.43
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-methyl-4-phenyl-1,3-thiazol-5-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

2-Methyl-4,5-diphenylthiazole
CID 77365
N-(3-Methylbutyl)-4-(2-Methyl-1,3-Thiazol-4-Yl)benzenesulfonamide
CID 74766015
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 748055
2-[2-(Toluene-4-sulfonyl)-ethyl]-benzothiazole
CID 773538
1-{[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]sulfonyl}azepane
CID 888109
2-(2-Chlorophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)thiazole
CID 9933112
5-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-2-methyl-thiazole
CID 10154719
2-(Trifluoromethyl)-4-(4-fluorophenyl)-5-[4-(methylsulfonyl)phenyl]thiazole
CID 10157862
4-(4-Fluorophenyl)-5-(4-methylsulfonylphenyl)-2-methylthiazole
CID 10172237
4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-thiophen-2-yl-thiazole
CID 10273329
2-(Trifluoromethyl)-4-[4-(methylsulfonyl)phenyl]-5-(4-fluorophenyl)thiazole
CID 10294458
2-(4-Chloro-phenyl)-4-(4-fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-thiazole
CID 10433546

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)benzenesulfonamide (CID 10019555) is 4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)benzenesulfonamide is Cc1nc(-c2ccccc2)c(-c2ccc(S(N)(=O)=O)cc2)s1.
What is the InChIKey of 4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)benzenesulfonamide?
The InChIKey is CVPSIMWFHZLLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-11-18-15(12-5-3-2-4-6-12)16(21-11)13-7-9-14(10-8-13)22(17,19)20/h2-10H,1H3,(H2,17,19,20).
What are the key properties of 4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)benzenesulfonamide?
4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)benzenesulfonamide has a molecular weight of 330.43 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 10019555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).