3-(butan-2-ylsulfamoyl)-N-butylbenzamide

C15H24N2O3S — CID 109062541

IUPAC3-(butan-2-ylsulfamoyl)-N-butylbenzamide
SMILESCCCCNC(=O)c1cccc(S(=O)(=O)NC(C)CC)c1
InChIInChI=1S/C15H24N2O3S/c1-4-6-10-16-15(18)13-8-7-9-14(11-13)21(19,20)17-12(3)5-2/h7-9,11-12,17H,4-6,10H2,1-3H3,(H,16,18)
InChIKeyRKIYALCXNHQYDE-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.29
Rot. Bonds8

About 3-(butan-2-ylsulfamoyl)-N-butylbenzamide

3-(butan-2-ylsulfamoyl)-N-butylbenzamide (PubChem CID 109062541) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-(butan-2-ylsulfamoyl)-N-butylbenzamide.

Molecular Properties

Compound Name3-(butan-2-ylsulfamoyl)-N-butylbenzamide
PubChem CID109062541
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-(butan-2-ylsulfamoyl)-N-butylbenzamide
SMILESCCCCNC(=O)c1cccc(S(=O)(=O)NC(C)CC)c1
InChIInChI=1S/C15H24N2O3S/c1-4-6-10-16-15(18)13-8-7-9-14(11-13)21(19,20)17-12(3)5-2/h7-9,11-12,17H,4-6,10H2,1-3H3,(H,16,18)
InChIKeyRKIYALCXNHQYDE-UHFFFAOYSA-N
XLogP2.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide
CID 109062923
N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119408016
3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 109062897
3-(ethylsulfamoyl)-N-hexylbenzamide
CID 46538065
3-(heptan-2-ylsulfamoyl)benzoic acid
CID 43398472
N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide
CID 109065314
3-acetyl-N-hexan-2-ylbenzenesulfonamide
CID 62200637
3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109065412
N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 109062590
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
N-hexan-2-yl-3-propanoylbenzenesulfonamide
CID 62200821
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylsulfamoyl)-N-butylbenzamide?
The IUPAC name of 3-(butan-2-ylsulfamoyl)-N-butylbenzamide (CID 109062541) is 3-(butan-2-ylsulfamoyl)-N-butylbenzamide.
What is the SMILES notation for 3-(butan-2-ylsulfamoyl)-N-butylbenzamide?
The canonical SMILES for 3-(butan-2-ylsulfamoyl)-N-butylbenzamide is CCCCNC(=O)c1cccc(S(=O)(=O)NC(C)CC)c1.
What is the InChIKey of 3-(butan-2-ylsulfamoyl)-N-butylbenzamide?
The InChIKey is RKIYALCXNHQYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-6-10-16-15(18)13-8-7-9-14(11-13)21(19,20)17-12(3)5-2/h7-9,11-12,17H,4-6,10H2,1-3H3,(H,16,18).
What are the key properties of 3-(butan-2-ylsulfamoyl)-N-butylbenzamide?
3-(butan-2-ylsulfamoyl)-N-butylbenzamide has a molecular weight of 312.44 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylsulfamoyl)-N-butylbenzamide is sourced from PubChem (CID 109062541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).