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

C13H17ClN2O3S — CID 114549394

IUPAC3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide
SMILESCC1CCC(NC(=O)c2cc(Cl)cc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C13H17ClN2O3S/c1-8-2-3-11(4-8)16-13(17)9-5-10(14)7-12(6-9)20(15,18)19/h5-8,11H,2-4H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyQHWXQGVKQIGZCJ-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.91
Rot. Bonds3

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

3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide (PubChem CID 114549394) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide
PubChem CID114549394
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide
SMILESCC1CCC(NC(=O)c2cc(Cl)cc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C13H17ClN2O3S/c1-8-2-3-11(4-8)16-13(17)9-5-10(14)7-12(6-9)20(15,18)19/h5-8,11H,2-4H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyQHWXQGVKQIGZCJ-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-[(3-methylcyclohexyl)carbamoyl]benzenesulfonyl chloride
CID 65372277
2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide
CID 114545578
3-methyl-5-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
CID 114546480
5-chloro-2-methyl-N-(3-methylcyclopentyl)-3-sulfamoylbenzamide
CID 114551529
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458
3,5-diamino-N-(3-methylcyclopentyl)benzamide
CID 114542578
N-butyl-3-chloro-5-sulfamoylbenzamide
CID 65374212
3,5-dichloro-4-methoxy-N-(3-methylcyclopentyl)benzamide
CID 114549918
3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide
CID 107989487
N-(3,4-dimethylcyclohexyl)-3-sulfamoylbenzamide
CID 64743154
2,6-dichloro-N-(3-methylcyclopentyl)-3-sulfamoylbenzamide
CID 114551555
3-fluoro-N-(3-methoxycyclopentyl)-5-sulfamoylbenzamide
CID 103082469

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide?
The IUPAC name of 3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide (CID 114549394) is 3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide?
The canonical SMILES for 3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide is CC1CCC(NC(=O)c2cc(Cl)cc(S(N)(=O)=O)c2)C1.
What is the InChIKey of 3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide?
The InChIKey is QHWXQGVKQIGZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-8-2-3-11(4-8)16-13(17)9-5-10(14)7-12(6-9)20(15,18)19/h5-8,11H,2-4H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide?
3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide has a molecular weight of 316.81 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 114549394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).