3-chloro-4-cyano-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide

C13H13ClN4O2S — CID 104693945

IUPAC3-chloro-4-cyano-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
SMILESCn1nccc1CCNS(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C13H13ClN4O2S/c1-18-11(4-6-16-18)5-7-17-21(19,20)12-3-2-10(9-15)13(14)8-12/h2-4,6,8,17H,5,7H2,1H3
InChIKeyDHXCFELETCWFLQ-UHFFFAOYSA-N
MW324.79 g/mol
LogP1.47
Rot. Bonds5

About 3-chloro-4-cyano-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide

3-chloro-4-cyano-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 104693945) has the molecular formula C13H13ClN4O2S and a molecular weight of 324.79 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
PubChem CID104693945
Molecular FormulaC13H13ClN4O2S
Molecular Weight324.79 g/mol
Exact Mass324.04
IUPAC Name3-chloro-4-cyano-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
SMILESCn1nccc1CCNS(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C13H13ClN4O2S/c1-18-11(4-6-16-18)5-7-17-21(19,20)12-3-2-10(9-15)13(14)8-12/h2-4,6,8,17H,5,7H2,1H3
InChIKeyDHXCFELETCWFLQ-UHFFFAOYSA-N
XLogP1.47
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-4-cyano-N-[2-(2-methylpyrazol-3-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

3-cyano-4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693958
3-chloro-4-cyano-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 115598540
N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693966
3-chloro-4-cyano-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 51115598
3-chloro-4-cyano-N-[2-(ethylamino)ethyl]benzenesulfonamide
CID 112703431
3-chloro-4-cyano-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 115591016
3-chloro-4-cyano-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 55903921
3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide
CID 106442080
3-chloro-4-cyano-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 115628680
3-chloro-4-cyano-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 115588783
3-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
CID 112686409
2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea
CID 112691993

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide (CID 104693945) is 3-chloro-4-cyano-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide is Cn1nccc1CCNS(=O)(=O)c1ccc(C#N)c(Cl)c1.
What is the InChIKey of 3-chloro-4-cyano-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is DHXCFELETCWFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2S/c1-18-11(4-6-16-18)5-7-17-21(19,20)12-3-2-10(9-15)13(14)8-12/h2-4,6,8,17H,5,7H2,1H3.
What are the key properties of 3-chloro-4-cyano-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide?
3-chloro-4-cyano-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 324.79 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 104693945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).