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

C13H13N3O2S2 — CID 103717223

IUPAC4-cyano-2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)NCCc1cscn1
InChIInChI=1S/C13H13N3O2S2/c1-10-6-11(7-14)2-3-13(10)20(17,18)16-5-4-12-8-19-9-15-12/h2-3,6,8-9,16H,4-5H2,1H3
InChIKeyWWHASEVJSVNMCG-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.84
Rot. Bonds5

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

4-cyano-2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 103717223) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-cyano-2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID103717223
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC Name4-cyano-2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)NCCc1cscn1
InChIInChI=1S/C13H13N3O2S2/c1-10-6-11(7-14)2-3-13(10)20(17,18)16-5-4-12-8-19-9-15-12/h2-3,6,8-9,16H,4-5H2,1H3
InChIKeyWWHASEVJSVNMCG-UHFFFAOYSA-N
XLogP1.84
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyano-2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]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-chloro-5-cyano-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 80704123
3-methyl-4-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]benzenecarbothioamide
CID 106998243
N-(3-chloropropyl)-4-cyano-2-methylbenzenesulfonamide
CID 106998775
2-bromo-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825604
4-cyano-N-(2-iodoethyl)-2-methylbenzenesulfonamide
CID 106442162
N-(2-bromoethyl)-4-cyano-2-methylbenzenesulfonamide
CID 106998772
4-cyano-N-(4-hydroxybutyl)-2-methylbenzenesulfonamide
CID 106997450
4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 55261418
4-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825079
4-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 106997265
5-amino-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63831484
2-amino-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63823464

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 103717223) is 4-cyano-2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide is Cc1cc(C#N)ccc1S(=O)(=O)NCCc1cscn1.
What is the InChIKey of 4-cyano-2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is WWHASEVJSVNMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c1-10-6-11(7-14)2-3-13(10)20(17,18)16-5-4-12-8-19-9-15-12/h2-3,6,8-9,16H,4-5H2,1H3.
What are the key properties of 4-cyano-2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
4-cyano-2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 307.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 103717223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).