4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide

C12H15ClN2O2S — CID 47387960

IUPAC4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
SMILESCCN(CC(C)C#N)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O2S/c1-3-15(9-10(2)8-14)18(16,17)12-6-4-11(13)5-7-12/h4-7,10H,3,9H2,1-2H3
InChIKeyHUEXHBDTISRIJK-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.51
Rot. Bonds5

About 4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide

4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide (PubChem CID 47387960) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is 4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
PubChem CID47387960
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC Name4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
SMILESCCN(CC(C)C#N)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O2S/c1-3-15(9-10(2)8-14)18(16,17)12-6-4-11(13)5-7-12/h4-7,10H,3,9H2,1-2H3
InChIKeyHUEXHBDTISRIJK-UHFFFAOYSA-N
XLogP2.51
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387979
3-chloro-4-cyano-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 115591030
2,5-dichloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387966
N-(2-cyanopropyl)-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 47387971
N-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide
CID 61384877
N-(2-cyanopropyl)-N-ethyl-3-methylbenzenesulfonamide
CID 47387967
3-amino-5-chloro-N-(2-cyanopropyl)-N-ethyl-4-methylbenzenesulfonamide
CID 61139914
3-amino-N-(2-cyanopropyl)-N-ethyl-2,4-difluorobenzenesulfonamide
CID 107343312
5-amino-N-(2-cyanopropyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 61141061
2-(4-chlorophenyl)sulfonyl-N-(2-cyanopropyl)-N-ethylacetamide
CID 60516291
2-bromo-5-[2-cyanopropyl(ethyl)sulfamoyl]benzoic acid
CID 60951344
5-chloro-N-[(2R)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide
CID 93470193

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide (CID 47387960) is 4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide is CCN(CC(C)C#N)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide?
The InChIKey is HUEXHBDTISRIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S/c1-3-15(9-10(2)8-14)18(16,17)12-6-4-11(13)5-7-12/h4-7,10H,3,9H2,1-2H3.
What are the key properties of 4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide?
4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide has a molecular weight of 286.78 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 47387960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).