2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide

C13H15ClN2O3S — CID 80704617

IUPAC2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)NCC2(O)CCCC2)c1
InChIInChI=1S/C13H15ClN2O3S/c14-11-4-3-10(8-15)7-12(11)20(18,19)16-9-13(17)5-1-2-6-13/h3-4,7,16-17H,1-2,5-6,9H2
InChIKeyVKFQLOQJXNSUNR-UHFFFAOYSA-N
MW314.79 g/mol
LogP1.80
Rot. Bonds4

About 2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide

2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide (PubChem CID 80704617) has the molecular formula C13H15ClN2O3S and a molecular weight of 314.79 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
PubChem CID80704617
Molecular FormulaC13H15ClN2O3S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC Name2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)NCC2(O)CCCC2)c1
InChIInChI=1S/C13H15ClN2O3S/c14-11-4-3-10(8-15)7-12(11)20(18,19)16-9-13(17)5-1-2-6-13/h3-4,7,16-17H,1-2,5-6,9H2
InChIKeyVKFQLOQJXNSUNR-UHFFFAOYSA-N
XLogP1.80
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-2-chloro-5-cyanobenzenesulfonamide
CID 80697074
2-chloro-5-cyano-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide
CID 104919307
2-chloro-5-cyano-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271407
4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65113107
2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122738
2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238
2-chloro-N-(2-chloroethyl)-5-cyanobenzenesulfonamide
CID 80704394
2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide
CID 80704539
N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704011
methyl 4-chloro-3-[(1-hydroxycyclobutyl)methylsulfamoyl]benzoate
CID 115754031
2,4-dichloro-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103088575
2-chloro-5-cyano-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485512

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide (CID 80704617) is 2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide is N#Cc1ccc(Cl)c(S(=O)(=O)NCC2(O)CCCC2)c1.
What is the InChIKey of 2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide?
The InChIKey is VKFQLOQJXNSUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S/c14-11-4-3-10(8-15)7-12(11)20(18,19)16-9-13(17)5-1-2-6-13/h3-4,7,16-17H,1-2,5-6,9H2.
What are the key properties of 2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide?
2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide has a molecular weight of 314.79 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 80704617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).