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

C14H17ClN2O3S — CID 115362906

IUPAC5-chloro-2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)NCC1(CO)CCCC1
InChIInChI=1S/C14H17ClN2O3S/c15-12-4-3-11(8-16)13(7-12)21(19,20)17-9-14(10-18)5-1-2-6-14/h3-4,7,17-18H,1-2,5-6,9-10H2
InChIKeyQLYQEGMCUGMVDM-UHFFFAOYSA-N
MW328.82 g/mol
LogP2.04
Rot. Bonds5

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

5-chloro-2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide (PubChem CID 115362906) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 5-chloro-2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
PubChem CID115362906
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name5-chloro-2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)NCC1(CO)CCCC1
InChIInChI=1S/C14H17ClN2O3S/c15-12-4-3-11(8-16)13(7-12)21(19,20)17-9-14(10-18)5-1-2-6-14/h3-4,7,17-18H,1-2,5-6,9-10H2
InChIKeyQLYQEGMCUGMVDM-UHFFFAOYSA-N
XLogP2.04
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

3-chloro-2-cyano-N-(4-hydroxy-2,2-dimethylpentyl)benzenesulfonamide
CID 84600357
5-chloro-2-cyano-N-(2,2-difluoro-3-hydroxypropyl)benzenesulfonamide
CID 104858800
2-cyano-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115360443
3-chloro-4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115362888
3-chloro-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115362918
5-chloro-2-cyano-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 43427816
5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501464
5-chloro-2-cyano-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501630
5-chloro-2-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 43501980
5-chloro-2-cyano-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502144
5-chloro-2-cyano-N-(2-hydroxypropyl)benzenesulfonamide
CID 43502329
5-chloro-N-((1-hydroxycyclopentyl)methyl)-2-methylbenzenesulfonamide
CID 49718107

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide (CID 115362906) is 5-chloro-2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide is N#Cc1ccc(Cl)cc1S(=O)(=O)NCC1(CO)CCCC1.
What is the InChIKey of 5-chloro-2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
The InChIKey is QLYQEGMCUGMVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c15-12-4-3-11(8-16)13(7-12)21(19,20)17-9-14(10-18)5-1-2-6-14/h3-4,7,17-18H,1-2,5-6,9-10H2.
What are the key properties of 5-chloro-2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
5-chloro-2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide has a molecular weight of 328.82 g/mol, XLogP of 2.04, 5 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-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide is sourced from PubChem (CID 115362906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).