N-(1-cyanocyclopentyl)-4-methylsulfonylbenzamide

C14H16N2O3S — CID 60665986

IUPACN-(1-cyanocyclopentyl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC2(C#N)CCCC2)cc1
InChIInChI=1S/C14H16N2O3S/c1-20(18,19)12-6-4-11(5-7-12)13(17)16-14(10-15)8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyUTCTVWUVKVXLBD-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.66
Rot. Bonds3

About N-(1-cyanocyclopentyl)-4-methylsulfonylbenzamide

N-(1-cyanocyclopentyl)-4-methylsulfonylbenzamide (PubChem CID 60665986) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-4-methylsulfonylbenzamide
PubChem CID60665986
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-(1-cyanocyclopentyl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC2(C#N)CCCC2)cc1
InChIInChI=1S/C14H16N2O3S/c1-20(18,19)12-6-4-11(5-7-12)13(17)16-14(10-15)8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyUTCTVWUVKVXLBD-UHFFFAOYSA-N
XLogP1.66
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 16514652
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
N-(1-cyanocyclopentyl)-4-(dimethylamino)benzamide
CID 60704670
N-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174585
N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide
CID 60966830
1-(4-methylsulfonylanilino)cyclohexane-1-carbonitrile
CID 126549254
N-(1-cyanocyclobutyl)-4-iodobenzamide
CID 55137573
N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 60718518
N-(1-cyanocyclopentyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 78830320
N-(1-cyanocyclohexyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 86917827
N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide
CID 104938860

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(1-cyanocyclopentyl)-4-methylsulfonylbenzamide (CID 60665986) is N-(1-cyanocyclopentyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)NC2(C#N)CCCC2)cc1.
What is the InChIKey of N-(1-cyanocyclopentyl)-4-methylsulfonylbenzamide?
The InChIKey is UTCTVWUVKVXLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-20(18,19)12-6-4-11(5-7-12)13(17)16-14(10-15)8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H,16,17).
What are the key properties of N-(1-cyanocyclopentyl)-4-methylsulfonylbenzamide?
N-(1-cyanocyclopentyl)-4-methylsulfonylbenzamide has a molecular weight of 292.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 60665986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).