2-chloro-5-cyano-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide

C12H10ClN3O2S2 — CID 80704123

IUPAC2-chloro-5-cyano-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)NCCc2cscn2)c1
InChIInChI=1S/C12H10ClN3O2S2/c13-11-2-1-9(6-14)5-12(11)20(17,18)16-4-3-10-7-19-8-15-10/h1-2,5,7-8,16H,3-4H2
InChIKeySDYRJAIXZKFHSK-UHFFFAOYSA-N
MW327.82 g/mol
LogP2.19
Rot. Bonds5

About 2-chloro-5-cyano-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide

2-chloro-5-cyano-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 80704123) has the molecular formula C12H10ClN3O2S2 and a molecular weight of 327.82 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID80704123
Molecular FormulaC12H10ClN3O2S2
Molecular Weight327.82 g/mol
Exact Mass326.99
IUPAC Name2-chloro-5-cyano-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)NCCc2cscn2)c1
InChIInChI=1S/C12H10ClN3O2S2/c13-11-2-1-9(6-14)5-12(11)20(17,18)16-4-3-10-7-19-8-15-10/h1-2,5,7-8,16H,3-4H2
InChIKeySDYRJAIXZKFHSK-UHFFFAOYSA-N
XLogP2.19
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-5-cyano-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

4-cyano-2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 103717223
4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 55261418
2-chloro-N-(2-chloroethyl)-5-cyanobenzenesulfonamide
CID 80704394
N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704011
N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704321
2-chloro-5-cyano-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 80697531
2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238
2-chloro-5-cyano-N-octylbenzenesulfonamide
CID 115568164
2-chloro-5-cyano-N-hex-5-ynylbenzenesulfonamide
CID 104919304
2-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825171
2-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825961
2-chloro-5-cyano-N-(5-methylhexyl)benzenesulfonamide
CID 115325652

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 80704123) is 2-chloro-5-cyano-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide is N#Cc1ccc(Cl)c(S(=O)(=O)NCCc2cscn2)c1.
What is the InChIKey of 2-chloro-5-cyano-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is SDYRJAIXZKFHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S2/c13-11-2-1-9(6-14)5-12(11)20(17,18)16-4-3-10-7-19-8-15-10/h1-2,5,7-8,16H,3-4H2.
What are the key properties of 2-chloro-5-cyano-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
2-chloro-5-cyano-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 327.82 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 80704123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).