3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide

C13H17ClN2O3S — CID 65388124

IUPAC3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide
SMILESCN(C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1)C1CCCC1
InChIInChI=1S/C13H17ClN2O3S/c1-16(11-4-2-3-5-11)13(17)9-6-10(14)8-12(7-9)20(15,18)19/h6-8,11H,2-5H2,1H3,(H2,15,18,19)
InChIKeyUQCMABYEFWTFKT-UHFFFAOYSA-N
MW316.81 g/mol
LogP2.00
Rot. Bonds3

About 3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide

3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide (PubChem CID 65388124) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide
PubChem CID65388124
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide
SMILESCN(C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1)C1CCCC1
InChIInChI=1S/C13H17ClN2O3S/c1-16(11-4-2-3-5-11)13(17)9-6-10(14)8-12(7-9)20(15,18)19/h6-8,11H,2-5H2,1H3,(H2,15,18,19)
InChIKeyUQCMABYEFWTFKT-UHFFFAOYSA-N
XLogP2.00
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65374096
3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
CID 65374087
3-chloro-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide
CID 107400421
3-bromo-2-chloro-N-cyclobutyl-N-methyl-5-sulfamoylbenzamide
CID 104538212
2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide
CID 43235774
N-cyclopropyl-N-methyl-3-sulfamoylbenzamide
CID 43265275
3-chloro-5-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65373058
N-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide
CID 66186140
3-chloro-N-(2,2-dimethylpropyl)-N-methyl-5-sulfamoylbenzamide
CID 65389265
3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 110823497
3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide
CID 61101939
4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
CID 81290579

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of 3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide (CID 65388124) is 3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide is CN(C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1)C1CCCC1.
What is the InChIKey of 3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide?
The InChIKey is UQCMABYEFWTFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-16(11-4-2-3-5-11)13(17)9-6-10(14)8-12(7-9)20(15,18)19/h6-8,11H,2-5H2,1H3,(H2,15,18,19).
What are the key properties of 3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide?
3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide has a molecular weight of 316.81 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65388124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).