2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide

C15H13ClN2O2S — CID 103988511

IUPAC2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C15H13ClN2O2S/c1-2-12-5-3-4-6-14(12)18-21(19,20)15-8-7-11(10-17)9-13(15)16/h3-9,18H,2H2,1H3
InChIKeyPRRPAZDTVABMAO-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.57
Rot. Bonds4

About 2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide

2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide (PubChem CID 103988511) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide
PubChem CID103988511
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C15H13ClN2O2S/c1-2-12-5-3-4-6-14(12)18-21(19,20)15-8-7-11(10-17)9-13(15)16/h3-9,18H,2H2,1H3
InChIKeyPRRPAZDTVABMAO-UHFFFAOYSA-N
XLogP3.57
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 103988459
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide
CID 75523599
2-chloro-4-cyano-N-(6-ethyl-2-methylpyrimidin-4-yl)benzenesulfonamide
CID 75522858
4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22773817
3-chloro-4-[(2-ethylphenyl)methylamino]benzonitrile
CID 64680342
2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 103988464
2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide
CID 28524364
5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide
CID 61112458
2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
CID 103989185
2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 103988599
4-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzenesulfonamide
CID 65031150

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide (CID 103988511) is 2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide is CCc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1Cl.
What is the InChIKey of 2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide?
The InChIKey is PRRPAZDTVABMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-2-12-5-3-4-6-14(12)18-21(19,20)15-8-7-11(10-17)9-13(15)16/h3-9,18H,2H2,1H3.
What are the key properties of 2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide?
2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide has a molecular weight of 320.80 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide is sourced from PubChem (CID 103988511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).