4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

C14H15N3O2S2 — CID 79185569

IUPAC4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2ccc(CC#N)cc2)sc1C
InChIInChI=1S/C14H15N3O2S2/c1-3-13-10(2)20-14(16-13)17-21(18,19)12-6-4-11(5-7-12)8-9-15/h4-7H,3,8H2,1-2H3,(H,16,17)
InChIKeyIWWUFPYTJQGXSD-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.88
Rot. Bonds5

About 4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 79185569) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID79185569
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2ccc(CC#N)cc2)sc1C
InChIInChI=1S/C14H15N3O2S2/c1-3-13-10(2)20-14(16-13)17-21(18,19)12-6-4-11(5-7-12)8-9-15/h4-7H,3,8H2,1-2H3,(H,16,17)
InChIKeyIWWUFPYTJQGXSD-UHFFFAOYSA-N
XLogP2.88
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(cyanomethyl)-N-(4-ethyl-5-methyl-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

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 79185569) is 4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is CCc1nc(NS(=O)(=O)c2ccc(CC#N)cc2)sc1C.
What is the InChIKey of 4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is IWWUFPYTJQGXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-3-13-10(2)20-14(16-13)17-21(18,19)12-6-4-11(5-7-12)8-9-15/h4-7H,3,8H2,1-2H3,(H,16,17).
What are the key properties of 4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 321.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 79185569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).