3-chloro-N-(1-methylcyclopentyl)-5-sulfamoylbenzamide

C13H17ClN2O3S — CID 65379790

IUPAC3-chloro-N-(1-methylcyclopentyl)-5-sulfamoylbenzamide
SMILESCC1(NC(=O)c2cc(Cl)cc(S(N)(=O)=O)c2)CCCC1
InChIInChI=1S/C13H17ClN2O3S/c1-13(4-2-3-5-13)16-12(17)9-6-10(14)8-11(7-9)20(15,18)19/h6-8H,2-5H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyWNHNNUZZDKUIGS-UHFFFAOYSA-N
MW316.81 g/mol
LogP2.05
Rot. Bonds3

About 3-chloro-N-(1-methylcyclopentyl)-5-sulfamoylbenzamide

3-chloro-N-(1-methylcyclopentyl)-5-sulfamoylbenzamide (PubChem CID 65379790) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 3-chloro-N-(1-methylcyclopentyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(1-methylcyclopentyl)-5-sulfamoylbenzamide
PubChem CID65379790
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name3-chloro-N-(1-methylcyclopentyl)-5-sulfamoylbenzamide
SMILESCC1(NC(=O)c2cc(Cl)cc(S(N)(=O)=O)c2)CCCC1
InChIInChI=1S/C13H17ClN2O3S/c1-13(4-2-3-5-13)16-12(17)9-6-10(14)8-11(7-9)20(15,18)19/h6-8H,2-5H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyWNHNNUZZDKUIGS-UHFFFAOYSA-N
XLogP2.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide
CID 65380196
N-butyl-3-chloro-5-sulfamoylbenzamide
CID 65374212
3-chloro-N-(4-methylpentyl)-5-sulfamoylbenzamide
CID 65386747
3,4-dichloro-N-(1-methylcyclopropyl)-5-sulfamoylbenzamide
CID 113486130
2,6-dichloro-N-(1-methylcyclobutyl)pyridine-4-carboxamide
CID 115766201
3-chloro-N-pent-4-ynyl-5-sulfamoylbenzamide
CID 106222478
3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide
CID 114549394
3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide
CID 103222033
3-bromo-4-chloro-N-(1-methylcyclohexyl)benzamide
CID 107999496
4-chloro-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 61217012
3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide
CID 65388124
3,5-dihydroxy-N-(1-methylcyclobutyl)benzamide
CID 104939206

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-methylcyclopentyl)-5-sulfamoylbenzamide?
The IUPAC name of 3-chloro-N-(1-methylcyclopentyl)-5-sulfamoylbenzamide (CID 65379790) is 3-chloro-N-(1-methylcyclopentyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 3-chloro-N-(1-methylcyclopentyl)-5-sulfamoylbenzamide?
The canonical SMILES for 3-chloro-N-(1-methylcyclopentyl)-5-sulfamoylbenzamide is CC1(NC(=O)c2cc(Cl)cc(S(N)(=O)=O)c2)CCCC1.
What is the InChIKey of 3-chloro-N-(1-methylcyclopentyl)-5-sulfamoylbenzamide?
The InChIKey is WNHNNUZZDKUIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-13(4-2-3-5-13)16-12(17)9-6-10(14)8-11(7-9)20(15,18)19/h6-8H,2-5H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-chloro-N-(1-methylcyclopentyl)-5-sulfamoylbenzamide?
3-chloro-N-(1-methylcyclopentyl)-5-sulfamoylbenzamide has a molecular weight of 316.81 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-methylcyclopentyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65379790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).