N-butyl-4-(pentylsulfamoyl)benzamide

C16H26N2O3S — CID 109058608

IUPACN-butyl-4-(pentylsulfamoyl)benzamide
SMILESCCCCCNS(=O)(=O)c1ccc(C(=O)NCCCC)cc1
InChIInChI=1S/C16H26N2O3S/c1-3-5-7-13-18-22(20,21)15-10-8-14(9-11-15)16(19)17-12-6-4-2/h8-11,18H,3-7,12-13H2,1-2H3,(H,17,19)
InChIKeyPRHHVWJFQUTFNS-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.68
Rot. Bonds10

About N-butyl-4-(pentylsulfamoyl)benzamide

N-butyl-4-(pentylsulfamoyl)benzamide (PubChem CID 109058608) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-butyl-4-(pentylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-butyl-4-(pentylsulfamoyl)benzamide
PubChem CID109058608
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-butyl-4-(pentylsulfamoyl)benzamide
SMILESCCCCCNS(=O)(=O)c1ccc(C(=O)NCCCC)cc1
InChIInChI=1S/C16H26N2O3S/c1-3-5-7-13-18-22(20,21)15-10-8-14(9-11-15)16(19)17-12-6-4-2/h8-11,18H,3-7,12-13H2,1-2H3,(H,17,19)
InChIKeyPRHHVWJFQUTFNS-UHFFFAOYSA-N
XLogP2.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.68
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

4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide
CID 109060155
4-(methylsulfamoyl)-N-nonylbenzamide
CID 46549901
4-(butylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 109058705
N-[2-(2-fluorophenyl)ethyl]-4-(pentylsulfamoyl)benzamide
CID 109061034
N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30854127
4-(nonylcarbamoyl)benzenesulfonyl chloride
CID 110823481
4-(2-chloroacetyl)-N-pentylbenzenesulfonamide
CID 82165572
4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 109058697
4-(butylsulfamoyl)benzoyl chloride
CID 91736822
N-hexyl-4-(phenylsulfamoyl)benzamide
CID 32646547
N-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide
CID 109058575
N-butyl-4-(phenylsulfamoyl)benzamide
CID 18106255

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(pentylsulfamoyl)benzamide?
The IUPAC name of N-butyl-4-(pentylsulfamoyl)benzamide (CID 109058608) is N-butyl-4-(pentylsulfamoyl)benzamide.
What is the SMILES notation for N-butyl-4-(pentylsulfamoyl)benzamide?
The canonical SMILES for N-butyl-4-(pentylsulfamoyl)benzamide is CCCCCNS(=O)(=O)c1ccc(C(=O)NCCCC)cc1.
What is the InChIKey of N-butyl-4-(pentylsulfamoyl)benzamide?
The InChIKey is PRHHVWJFQUTFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-3-5-7-13-18-22(20,21)15-10-8-14(9-11-15)16(19)17-12-6-4-2/h8-11,18H,3-7,12-13H2,1-2H3,(H,17,19).
What are the key properties of N-butyl-4-(pentylsulfamoyl)benzamide?
N-butyl-4-(pentylsulfamoyl)benzamide has a molecular weight of 326.46 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(pentylsulfamoyl)benzamide is sourced from PubChem (CID 109058608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).