5-chloro-2-cyano-N-(4-hydroxycyclohexyl)benzenesulfonamide

C13H15ClN2O3S — CID 43427816

IUPAC5-chloro-2-cyano-N-(4-hydroxycyclohexyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C13H15ClN2O3S/c14-10-2-1-9(8-15)13(7-10)20(18,19)16-11-3-5-12(17)6-4-11/h1-2,7,11-12,16-17H,3-6H2
InChIKeyKLMQINPMCFYWQR-UHFFFAOYSA-N
MW314.79 g/mol
LogP1.79
Rot. Bonds3

About 5-chloro-2-cyano-N-(4-hydroxycyclohexyl)benzenesulfonamide

5-chloro-2-cyano-N-(4-hydroxycyclohexyl)benzenesulfonamide (PubChem CID 43427816) has the molecular formula C13H15ClN2O3S and a molecular weight of 314.79 g/mol. Its IUPAC name is 5-chloro-2-cyano-N-(4-hydroxycyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-cyano-N-(4-hydroxycyclohexyl)benzenesulfonamide
PubChem CID43427816
Molecular FormulaC13H15ClN2O3S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC Name5-chloro-2-cyano-N-(4-hydroxycyclohexyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C13H15ClN2O3S/c14-10-2-1-9(8-15)13(7-10)20(18,19)16-11-3-5-12(17)6-4-11/h1-2,7,11-12,16-17H,3-6H2
InChIKeyKLMQINPMCFYWQR-UHFFFAOYSA-N
XLogP1.79
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-cyano-N-(4-hydroxy-2,2-dimethylpentyl)benzenesulfonamide
CID 84600357
5-chloro-N-(2-hydroxy-3-phenylpropyl)-2-methylbenzenesulfonamide
CID 56765296
5-chloro-N-(4-hydroxycyclohexyl)-2-(trifluoromethyl)benzenesulfonamide
CID 68632001
2-cyano-3-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 64131277
2-chloro-N-(4-hydroxycyclohexyl)-5-(trifluoromethyl)benzenesulfonamide
CID 78786987
4-chloro-N-(4-hydroxycyclohexyl)-2-(trifluoromethyl)benzenesulfonamide
CID 78786988
5-chloro-2-cyano-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834086
5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
CID 103836888
5-chloro-N-(3-hydroxycyclohexyl)-2-methylbenzenesulfonamide
CID 71786251
4-(4-chloro-2-cyanophenyl)-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 130254142
3-chloro-4-(4-chloro-2-cyanophenyl)-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 145101930
4-cyano-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 24695749

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyano-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-cyano-N-(4-hydroxycyclohexyl)benzenesulfonamide (CID 43427816) is 5-chloro-2-cyano-N-(4-hydroxycyclohexyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-cyano-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-cyano-N-(4-hydroxycyclohexyl)benzenesulfonamide is N#Cc1ccc(Cl)cc1S(=O)(=O)NC1CCC(O)CC1.
What is the InChIKey of 5-chloro-2-cyano-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The InChIKey is KLMQINPMCFYWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S/c14-10-2-1-9(8-15)13(7-10)20(18,19)16-11-3-5-12(17)6-4-11/h1-2,7,11-12,16-17H,3-6H2.
What are the key properties of 5-chloro-2-cyano-N-(4-hydroxycyclohexyl)benzenesulfonamide?
5-chloro-2-cyano-N-(4-hydroxycyclohexyl)benzenesulfonamide has a molecular weight of 314.79 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyano-N-(4-hydroxycyclohexyl)benzenesulfonamide is sourced from PubChem (CID 43427816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).