N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide

C17H19ClN2O3S — CID 18106251

IUPACN-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
SMILESCCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C17H19ClN2O3S/c1-2-3-11-19-17(21)13-7-6-8-14(12-13)24(22,23)20-16-10-5-4-9-15(16)18/h4-10,12,20H,2-3,11H2,1H3,(H,19,21)
InChIKeyLPJNANGHBGXNBM-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.67
Rot. Bonds7

About N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide

N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide (PubChem CID 18106251) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
PubChem CID18106251
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
SMILESCCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C17H19ClN2O3S/c1-2-3-11-19-17(21)13-7-6-8-14(12-13)24(22,23)20-16-10-5-4-9-15(16)18/h4-10,12,20H,2-3,11H2,1H3,(H,19,21)
InChIKeyLPJNANGHBGXNBM-UHFFFAOYSA-N
XLogP3.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.67
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

3-[(2-chlorophenyl)sulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
CID 109064248
N-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide
CID 109062606
N-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 31588662
3-[(2-chlorophenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 30859194
N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 109062590
3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 55711291
3-[(butanoylamino)carbamoyl]-N-(2-chlorophenyl)benzenesulfonamide
CID 24540511
1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109051163
3-[(2-chlorophenyl)sulfamoyl]-N-(3-cyclohexyloxypropyl)benzamide
CID 55408428
3-[(2-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513235
3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide
CID 97012345
3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 43016560

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide (CID 18106251) is N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide is CCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide?
The InChIKey is LPJNANGHBGXNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-2-3-11-19-17(21)13-7-6-8-14(12-13)24(22,23)20-16-10-5-4-9-15(16)18/h4-10,12,20H,2-3,11H2,1H3,(H,19,21).
What are the key properties of N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide?
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide has a molecular weight of 366.87 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 18106251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).