2-chloro-5-cyano-N-ethylbenzenesulfonamide

C9H9ClN2O2S — CID 80704238

IUPAC2-chloro-5-cyano-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(C#N)ccc1Cl
InChIInChI=1S/C9H9ClN2O2S/c1-2-12-15(13,14)9-5-7(6-11)3-4-8(9)10/h3-5,12H,2H2,1H3
InChIKeyNUWCVSDBGRPTIQ-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.51
Rot. Bonds3

About 2-chloro-5-cyano-N-ethylbenzenesulfonamide

2-chloro-5-cyano-N-ethylbenzenesulfonamide (PubChem CID 80704238) has the molecular formula C9H9ClN2O2S and a molecular weight of 244.70 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-ethylbenzenesulfonamide
PubChem CID80704238
Molecular FormulaC9H9ClN2O2S
Molecular Weight244.70 g/mol
Exact Mass244.01
IUPAC Name2-chloro-5-cyano-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(C#N)ccc1Cl
InChIInChI=1S/C9H9ClN2O2S/c1-2-12-15(13,14)9-5-7(6-11)3-4-8(9)10/h3-5,12H,2H2,1H3
InChIKeyNUWCVSDBGRPTIQ-UHFFFAOYSA-N
XLogP1.51
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-cyano-N-octylbenzenesulfonamide
CID 115568164
2-chloro-N-(2-chloroethyl)-5-cyanobenzenesulfonamide
CID 80704394
2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide
CID 80704539
N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704011
2-chloro-5-cyano-N-(2-cyanopropyl)benzenesulfonamide
CID 80704391
2-chloro-5-cyano-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide
CID 104919307
N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704321
N-(2-amino-3-methylbutyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704916
2-chloro-5-cyano-N-(5-methylhexyl)benzenesulfonamide
CID 115325652
2-chloro-5-cyano-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide
CID 114332498
2-chloro-5-cyano-N-(2,3-dimethoxypropyl)benzenesulfonamide
CID 104919448
2-chloro-5-cyano-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271407

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-ethylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-ethylbenzenesulfonamide (CID 80704238) is 2-chloro-5-cyano-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-ethylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1cc(C#N)ccc1Cl.
What is the InChIKey of 2-chloro-5-cyano-N-ethylbenzenesulfonamide?
The InChIKey is NUWCVSDBGRPTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2S/c1-2-12-15(13,14)9-5-7(6-11)3-4-8(9)10/h3-5,12H,2H2,1H3.
What are the key properties of 2-chloro-5-cyano-N-ethylbenzenesulfonamide?
2-chloro-5-cyano-N-ethylbenzenesulfonamide has a molecular weight of 244.70 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N-ethylbenzenesulfonamide is sourced from PubChem (CID 80704238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).