4-(cyclohexylsulfamoyl)-N-pentylbenzamide

C18H28N2O3S — CID 109059553

IUPAC4-(cyclohexylsulfamoyl)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-2-3-7-14-19-18(21)15-10-12-17(13-11-15)24(22,23)20-16-8-5-4-6-9-16/h10-13,16,20H,2-9,14H2,1H3,(H,19,21)
InChIKeyZPQWDFLPRZSPEH-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.22
Rot. Bonds8

About 4-(cyclohexylsulfamoyl)-N-pentylbenzamide

4-(cyclohexylsulfamoyl)-N-pentylbenzamide (PubChem CID 109059553) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-(cyclohexylsulfamoyl)-N-pentylbenzamide.

Molecular Properties

Compound Name4-(cyclohexylsulfamoyl)-N-pentylbenzamide
PubChem CID109059553
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name4-(cyclohexylsulfamoyl)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-2-3-7-14-19-18(21)15-10-12-17(13-11-15)24(22,23)20-16-8-5-4-6-9-16/h10-13,16,20H,2-9,14H2,1H3,(H,19,21)
InChIKeyZPQWDFLPRZSPEH-UHFFFAOYSA-N
XLogP3.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.22
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-(cyclopentylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 109059323
4-(cycloheptylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 109061209
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-pentylacetamide
CID 45375351
N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide
CID 30942685
4-(methylsulfamoyl)-N-nonylbenzamide
CID 46549901
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
N-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374355
4-(cyclopropylsulfamoyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 18150983
N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51339257
N-hexyl-4-(phenylsulfamoyl)benzamide
CID 32646547
4-(cycloheptylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 109059992
4-(azepan-1-ylsulfonyl)-N-hexylbenzamide
CID 8886320

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylsulfamoyl)-N-pentylbenzamide?
The IUPAC name of 4-(cyclohexylsulfamoyl)-N-pentylbenzamide (CID 109059553) is 4-(cyclohexylsulfamoyl)-N-pentylbenzamide.
What is the SMILES notation for 4-(cyclohexylsulfamoyl)-N-pentylbenzamide?
The canonical SMILES for 4-(cyclohexylsulfamoyl)-N-pentylbenzamide is CCCCCNC(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexylsulfamoyl)-N-pentylbenzamide?
The InChIKey is ZPQWDFLPRZSPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-2-3-7-14-19-18(21)15-10-12-17(13-11-15)24(22,23)20-16-8-5-4-6-9-16/h10-13,16,20H,2-9,14H2,1H3,(H,19,21).
What are the key properties of 4-(cyclohexylsulfamoyl)-N-pentylbenzamide?
4-(cyclohexylsulfamoyl)-N-pentylbenzamide has a molecular weight of 352.50 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylsulfamoyl)-N-pentylbenzamide is sourced from PubChem (CID 109059553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).