5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide

C13H16ClFN2O3S — CID 65388548

IUPAC5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(Cl)cc(C(=O)NCC2CCCC2)c1F
InChIInChI=1S/C13H16ClFN2O3S/c14-9-5-10(12(15)11(6-9)21(16,19)20)13(18)17-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,17,18)(H2,16,19,20)
InChIKeyJZEJTBKGFVCTEU-UHFFFAOYSA-N
MW334.80 g/mol
LogP2.05
Rot. Bonds4

About 5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide

5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide (PubChem CID 65388548) has the molecular formula C13H16ClFN2O3S and a molecular weight of 334.80 g/mol. Its IUPAC name is 5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide
PubChem CID65388548
Molecular FormulaC13H16ClFN2O3S
Molecular Weight334.80 g/mol
Exact Mass334.06
IUPAC Name5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(Cl)cc(C(=O)NCC2CCCC2)c1F
InChIInChI=1S/C13H16ClFN2O3S/c14-9-5-10(12(15)11(6-9)21(16,19)20)13(18)17-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,17,18)(H2,16,19,20)
InChIKeyJZEJTBKGFVCTEU-UHFFFAOYSA-N
XLogP2.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide
CID 82890908
5-chloro-2-fluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65373130
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
5-chloro-2-fluoro-3-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396644
N-(cyclopentylmethyl)-2-sulfamoylbenzamide
CID 43371345
5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide
CID 65380196
2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65372080
5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide
CID 65373518
2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide
CID 65373693
N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide
CID 60727294
5-chloro-3-(cyclohexylmethylsulfonyl)-2-fluorobenzoic acid
CID 43323203
N-(cyclopropylmethyl)-2-sulfamoylbenzamide
CID 43164725

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide?
The IUPAC name of 5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide (CID 65388548) is 5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide.
What is the SMILES notation for 5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide?
The canonical SMILES for 5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide is NS(=O)(=O)c1cc(Cl)cc(C(=O)NCC2CCCC2)c1F.
What is the InChIKey of 5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide?
The InChIKey is JZEJTBKGFVCTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O3S/c14-9-5-10(12(15)11(6-9)21(16,19)20)13(18)17-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,17,18)(H2,16,19,20).
What are the key properties of 5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide?
5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide has a molecular weight of 334.80 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide is sourced from PubChem (CID 65388548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).