2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide

C13H15ClN2O2S — CID 60660817

IUPAC2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide
SMILESN#CC1(NS(=O)(=O)c2ccccc2Cl)CCCCC1
InChIInChI=1S/C13H15ClN2O2S/c14-11-6-2-3-7-12(11)19(17,18)16-13(10-15)8-4-1-5-9-13/h2-3,6-7,16H,1,4-5,8-9H2
InChIKeyRMHCJYHEJGRGSF-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.84
Rot. Bonds3

About 2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide

2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide (PubChem CID 60660817) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.79 g/mol. Its IUPAC name is 2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide
PubChem CID60660817
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.79 g/mol
Exact Mass298.05
IUPAC Name2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide
SMILESN#CC1(NS(=O)(=O)c2ccccc2Cl)CCCCC1
InChIInChI=1S/C13H15ClN2O2S/c14-11-6-2-3-7-12(11)19(17,18)16-13(10-15)8-4-1-5-9-13/h2-3,6-7,16H,1,4-5,8-9H2
InChIKeyRMHCJYHEJGRGSF-UHFFFAOYSA-N
XLogP2.84
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide (CID 60660817) is 2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide is N#CC1(NS(=O)(=O)c2ccccc2Cl)CCCCC1.
What is the InChIKey of 2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide?
The InChIKey is RMHCJYHEJGRGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c14-11-6-2-3-7-12(11)19(17,18)16-13(10-15)8-4-1-5-9-13/h2-3,6-7,16H,1,4-5,8-9H2.
What are the key properties of 2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide?
2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide has a molecular weight of 298.79 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide is sourced from PubChem (CID 60660817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).