5-chloro-2-cyano-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide

C14H17ClN2O3S — CID 106126720

IUPAC5-chloro-2-cyano-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)NCC1CCC(O)CC1
InChIInChI=1S/C14H17ClN2O3S/c15-12-4-3-11(8-16)14(7-12)21(19,20)17-9-10-1-5-13(18)6-2-10/h3-4,7,10,13,17-18H,1-2,5-6,9H2
InChIKeyOTUHCLLOCQVDDI-UHFFFAOYSA-N
MW328.82 g/mol
LogP2.04
Rot. Bonds4

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

5-chloro-2-cyano-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide (PubChem CID 106126720) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 5-chloro-2-cyano-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-cyano-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
PubChem CID106126720
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name5-chloro-2-cyano-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)NCC1CCC(O)CC1
InChIInChI=1S/C14H17ClN2O3S/c15-12-4-3-11(8-16)14(7-12)21(19,20)17-9-10-1-5-13(18)6-2-10/h3-4,7,10,13,17-18H,1-2,5-6,9H2
InChIKeyOTUHCLLOCQVDDI-UHFFFAOYSA-N
XLogP2.04
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501464
5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753553
4-chloro-2-[(3-hydroxycyclopentyl)methylamino]benzonitrile
CID 103269778
5-chloro-2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65113139
5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
CID 103836888
5-chloro-2-cyano-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65034730
5-chloro-2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115362906
2-cyano-N-(cyclopentylmethyl)benzenesulfonamide
CID 43317177
6-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid
CID 43132394
5-chloro-2-cyano-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
CID 103835199
5-chloro-2-cyano-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103834427
2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126545

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyano-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-cyano-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide (CID 106126720) is 5-chloro-2-cyano-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-cyano-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-cyano-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide is N#Cc1ccc(Cl)cc1S(=O)(=O)NCC1CCC(O)CC1.
What is the InChIKey of 5-chloro-2-cyano-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide?
The InChIKey is OTUHCLLOCQVDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c15-12-4-3-11(8-16)14(7-12)21(19,20)17-9-10-1-5-13(18)6-2-10/h3-4,7,10,13,17-18H,1-2,5-6,9H2.
What are the key properties of 5-chloro-2-cyano-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide?
5-chloro-2-cyano-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide has a molecular weight of 328.82 g/mol, XLogP of 2.04, 4 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)methyl]benzenesulfonamide is sourced from PubChem (CID 106126720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).