4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide

C20H26N2O3S — CID 109061332

IUPAC4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H26N2O3S/c1-4-5-6-13-21-20(23)17-8-10-18(11-9-17)26(24,25)22-19-12-7-15(2)14-16(19)3/h7-12,14,22H,4-6,13H2,1-3H3,(H,21,23)
InChIKeyBZGFKHIGONPQHH-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.02
Rot. Bonds8

About 4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide

4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide (PubChem CID 109061332) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide.

Molecular Properties

Compound Name4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
PubChem CID109061332
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H26N2O3S/c1-4-5-6-13-21-20(23)17-8-10-18(11-9-17)26(24,25)22-19-12-7-15(2)14-16(19)3/h7-12,14,22H,4-6,13H2,1-3H3,(H,21,23)
InChIKeyBZGFKHIGONPQHH-UHFFFAOYSA-N
XLogP4.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.02
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-[(3-methylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061330
N-butyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide
CID 109058641
N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99950233
3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide
CID 109062045
N-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 109060255
3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide
CID 19062794
N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 9414249
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
4-(methylsulfamoyl)-N-nonylbenzamide
CID 46549901
N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 109062590
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]tetradecanamide
CID 54789624
N-hexyl-4-(phenylsulfamoyl)benzamide
CID 32646547

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide?
The IUPAC name of 4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide (CID 109061332) is 4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide.
What is the SMILES notation for 4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide?
The canonical SMILES for 4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide is CCCCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of 4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide?
The InChIKey is BZGFKHIGONPQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-4-5-6-13-21-20(23)17-8-10-18(11-9-17)26(24,25)22-19-12-7-15(2)14-16(19)3/h7-12,14,22H,4-6,13H2,1-3H3,(H,21,23).
What are the key properties of 4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide?
4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide has a molecular weight of 374.51 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide is sourced from PubChem (CID 109061332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).