2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide

C16H23ClN2O3S — CID 38856928

IUPAC2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCC2CCCC2)c1
InChIInChI=1S/C16H23ClN2O3S/c1-18-23(21,22)13-8-9-15(17)14(11-13)16(20)19-10-4-7-12-5-2-3-6-12/h8-9,11-12,18H,2-7,10H2,1H3,(H,19,20)
InChIKeyXBIOMIJSNVCWIJ-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.95
Rot. Bonds7

About 2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide

2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide (PubChem CID 38856928) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is 2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide
PubChem CID38856928
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC Name2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCC2CCCC2)c1
InChIInChI=1S/C16H23ClN2O3S/c1-18-23(21,22)13-8-9-15(17)14(11-13)16(20)19-10-4-7-12-5-2-3-6-12/h8-9,11-12,18H,2-7,10H2,1H3,(H,19,20)
InChIKeyXBIOMIJSNVCWIJ-UHFFFAOYSA-N
XLogP2.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide
CID 46665691
2-chloro-N-cyclopentyl-5-(methylsulfamoyl)benzamide
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2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide
CID 51165018
N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide
CID 38196368
2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55945095
2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid
CID 60734449
3-chloro-5-(3-cyclopropylpropylcarbamoyl)-4-methylbenzenesulfonyl chloride
CID 107100777
2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide
CID 9442250
[(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 7975082
3-chloro-N-(3-cyclopropylpropyl)-2-methyl-5-sulfamoylbenzamide
CID 107101066
4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride
CID 65371129
3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012518

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide (CID 38856928) is 2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCC2CCCC2)c1.
What is the InChIKey of 2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide?
The InChIKey is XBIOMIJSNVCWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-18-23(21,22)13-8-9-15(17)14(11-13)16(20)19-10-4-7-12-5-2-3-6-12/h8-9,11-12,18H,2-7,10H2,1H3,(H,19,20).
What are the key properties of 2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide?
2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide has a molecular weight of 358.89 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 38856928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).