3-chloro-4-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide

C15H19ClN2O2S — CID 52697190

IUPAC3-chloro-4-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C15H19ClN2O2S/c1-2-18(13-6-4-3-5-7-13)21(19,20)14-9-8-12(11-17)15(16)10-14/h8-10,13H,2-7H2,1H3
InChIKeyZJDUPTKUTDMGEM-UHFFFAOYSA-N
MW326.85 g/mol
LogP3.55
Rot. Bonds4

About 3-chloro-4-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide

3-chloro-4-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide (PubChem CID 52697190) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide
PubChem CID52697190
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name3-chloro-4-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C15H19ClN2O2S/c1-2-18(13-6-4-3-5-7-13)21(19,20)14-9-8-12(11-17)15(16)10-14/h8-10,13H,2-7H2,1H3
InChIKeyZJDUPTKUTDMGEM-UHFFFAOYSA-N
XLogP3.55
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide (CID 52697190) is 3-chloro-4-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1.
What is the InChIKey of 3-chloro-4-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide?
The InChIKey is ZJDUPTKUTDMGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-2-18(13-6-4-3-5-7-13)21(19,20)14-9-8-12(11-17)15(16)10-14/h8-10,13H,2-7H2,1H3.
What are the key properties of 3-chloro-4-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide?
3-chloro-4-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide has a molecular weight of 326.85 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide is sourced from PubChem (CID 52697190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).