3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide

C20H26N2O3S — CID 109065412

IUPAC3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc(S(=O)(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C20H26N2O3S/c1-4-5-6-13-21-20(23)17-11-8-12-18(14-17)26(24,25)22-19-15(2)9-7-10-16(19)3/h7-12,14,22H,4-6,13H2,1-3H3,(H,21,23)
InChIKeyCZUQAQILWHHGLY-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.02
Rot. Bonds8

About 3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide

3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide (PubChem CID 109065412) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide.

Molecular Properties

Compound Name3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
PubChem CID109065412
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc(S(=O)(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C20H26N2O3S/c1-4-5-6-13-21-20(23)17-11-8-12-18(14-17)26(24,25)22-19-15(2)9-7-10-16(19)3/h7-12,14,22H,4-6,13H2,1-3H3,(H,21,23)
InChIKeyCZUQAQILWHHGLY-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

3-(ethylsulfamoyl)-N-hexylbenzamide
CID 46538065
3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109065428
3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide
CID 7964289
N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 109062590
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide
CID 39157474
N-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide
CID 109062606
3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109062454
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
methyl 4-[[3-(butylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109062626
3-(butan-2-ylsulfamoyl)-N-butylbenzamide
CID 109062541
3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide
CID 109062045
N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide
CID 109065314

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide?
The IUPAC name of 3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide (CID 109065412) is 3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide.
What is the SMILES notation for 3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide?
The canonical SMILES for 3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide is CCCCCNC(=O)c1cccc(S(=O)(=O)Nc2c(C)cccc2C)c1.
What is the InChIKey of 3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide?
The InChIKey is CZUQAQILWHHGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-4-5-6-13-21-20(23)17-11-8-12-18(14-17)26(24,25)22-19-15(2)9-7-10-16(19)3/h7-12,14,22H,4-6,13H2,1-3H3,(H,21,23).
What are the key properties of 3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide?
3-[(2,6-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 3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide is sourced from PubChem (CID 109065412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).