4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide

C17H19ClN2O3S — CID 109058758

IUPAC4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide
SMILESCCCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-2-3-11-19-24(22,23)16-9-7-13(8-10-16)17(21)20-15-6-4-5-14(18)12-15/h4-10,12,19H,2-3,11H2,1H3,(H,20,21)
InChIKeyAJNWKULSPNGABS-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.67
Rot. Bonds7

About 4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide

4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide (PubChem CID 109058758) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide.

Molecular Properties

Compound Name4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide
PubChem CID109058758
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide
SMILESCCCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-2-3-11-19-24(22,23)16-9-7-13(8-10-16)17(21)20-15-6-4-5-14(18)12-15/h4-10,12,19H,2-3,11H2,1H3,(H,20,21)
InChIKeyAJNWKULSPNGABS-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

N-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061299
N-(3-methoxyphenyl)-4-(pentylsulfamoyl)benzamide
CID 109061401
N-(3-chlorophenyl)-4-(methylsulfamoyl)benzamide
CID 34742954
N-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide
CID 109061392
4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide
CID 46385848
3-(butylsulfamoyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 17226614
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065382
N-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide
CID 4983601
N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide
CID 27992662
4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109058795
N-(3-chlorophenyl)-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109064025

Frequently Asked Questions

What is the IUPAC name of 4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide?
The IUPAC name of 4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide (CID 109058758) is 4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide.
What is the SMILES notation for 4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide?
The canonical SMILES for 4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide is CCCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide?
The InChIKey is AJNWKULSPNGABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-2-3-11-19-24(22,23)16-9-7-13(8-10-16)17(21)20-15-6-4-5-14(18)12-15/h4-10,12,19H,2-3,11H2,1H3,(H,20,21).
What are the key properties of 4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide?
4-(butylsulfamoyl)-N-(3-chlorophenyl)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 4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide is sourced from PubChem (CID 109058758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).