3-(ethylsulfamoyl)-N-hexylbenzamide

C15H24N2O3S — CID 46538065

IUPAC3-(ethylsulfamoyl)-N-hexylbenzamide
SMILESCCCCCCNC(=O)c1cccc(S(=O)(=O)NCC)c1
InChIInChI=1S/C15H24N2O3S/c1-3-5-6-7-11-16-15(18)13-9-8-10-14(12-13)21(19,20)17-4-2/h8-10,12,17H,3-7,11H2,1-2H3,(H,16,18)
InChIKeyIXJHSKKPVBYWAI-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.29
Rot. Bonds9

About 3-(ethylsulfamoyl)-N-hexylbenzamide

3-(ethylsulfamoyl)-N-hexylbenzamide (PubChem CID 46538065) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-N-hexylbenzamide.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-N-hexylbenzamide
PubChem CID46538065
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-(ethylsulfamoyl)-N-hexylbenzamide
SMILESCCCCCCNC(=O)c1cccc(S(=O)(=O)NCC)c1
InChIInChI=1S/C15H24N2O3S/c1-3-5-6-7-11-16-15(18)13-9-8-10-14(12-13)21(19,20)17-4-2/h8-10,12,17H,3-7,11H2,1-2H3,(H,16,18)
InChIKeyIXJHSKKPVBYWAI-UHFFFAOYSA-N
XLogP2.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.29
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-methylbutyl)-3-(pentylsulfamoyl)benzamide
CID 109065314
3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109065412
3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109065428
3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide
CID 7964289
3-(butan-2-ylsulfamoyl)-N-butylbenzamide
CID 109062541
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(ethylsulfamoyl)benzamide
CID 30359896
N-cyclopropyl-3-(pentylsulfamoyl)benzamide
CID 109062314
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide
CID 39157474
N,N-diethyl-3-(pentylsulfamoyl)benzamide
CID 109065070
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
3-(ethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33134557
3-hydroxy-N-octylbenzamide
CID 115568584

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-N-hexylbenzamide?
The IUPAC name of 3-(ethylsulfamoyl)-N-hexylbenzamide (CID 46538065) is 3-(ethylsulfamoyl)-N-hexylbenzamide.
What is the SMILES notation for 3-(ethylsulfamoyl)-N-hexylbenzamide?
The canonical SMILES for 3-(ethylsulfamoyl)-N-hexylbenzamide is CCCCCCNC(=O)c1cccc(S(=O)(=O)NCC)c1.
What is the InChIKey of 3-(ethylsulfamoyl)-N-hexylbenzamide?
The InChIKey is IXJHSKKPVBYWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-5-6-7-11-16-15(18)13-9-8-10-14(12-13)21(19,20)17-4-2/h8-10,12,17H,3-7,11H2,1-2H3,(H,16,18).
What are the key properties of 3-(ethylsulfamoyl)-N-hexylbenzamide?
3-(ethylsulfamoyl)-N-hexylbenzamide has a molecular weight of 312.44 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)-N-hexylbenzamide is sourced from PubChem (CID 46538065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).