4-[[N-(benzenesulfonyl)anilino]methyl]-N-propylbenzamide

C23H24N2O3S — CID 4239264

IUPAC4-[[N-(benzenesulfonyl)anilino]methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-2-17-24-23(26)20-15-13-19(14-16-20)18-25(21-9-5-3-6-10-21)29(27,28)22-11-7-4-8-12-22/h3-16H,2,17-18H2,1H3,(H,24,26)
InChIKeyLQARZUOUPHNKFF-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.22
Rot. Bonds8

About 4-[[N-(benzenesulfonyl)anilino]methyl]-N-propylbenzamide

4-[[N-(benzenesulfonyl)anilino]methyl]-N-propylbenzamide (PubChem CID 4239264) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 4-[[N-(benzenesulfonyl)anilino]methyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[N-(benzenesulfonyl)anilino]methyl]-N-propylbenzamide
PubChem CID4239264
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name4-[[N-(benzenesulfonyl)anilino]methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-2-17-24-23(26)20-15-13-19(14-16-20)18-25(21-9-5-3-6-10-21)29(27,28)22-11-7-4-8-12-22/h3-16H,2,17-18H2,1H3,(H,24,26)
InChIKeyLQARZUOUPHNKFF-UHFFFAOYSA-N
XLogP4.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[N-(benzenesulfonyl)anilino]methyl]-N-benzylbenzamide
CID 1100953
4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 92679889
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
4-[benzyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 109057880
4-[ethyl(phenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 4797803
(2R)-2-[[2-[N-(benzenesulfonyl)anilino]acetyl]-benzylamino]-N-propylbutanamide
CID 100537013
N-(2-acetamidoethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 9467905
3-[benzyl(phenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 35810494
2-[[2-[N-(benzenesulfonyl)anilino]acetyl]-benzylamino]-N-propylpropanamide
CID 132678935
(2S)-2-[[2-[N-(benzenesulfonyl)anilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100557489
4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 94019026
N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1106193

Frequently Asked Questions

What is the IUPAC name of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-propylbenzamide?
The IUPAC name of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-propylbenzamide (CID 4239264) is 4-[[N-(benzenesulfonyl)anilino]methyl]-N-propylbenzamide.
What is the SMILES notation for 4-[[N-(benzenesulfonyl)anilino]methyl]-N-propylbenzamide?
The canonical SMILES for 4-[[N-(benzenesulfonyl)anilino]methyl]-N-propylbenzamide is CCCNC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-propylbenzamide?
The InChIKey is LQARZUOUPHNKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-2-17-24-23(26)20-15-13-19(14-16-20)18-25(21-9-5-3-6-10-21)29(27,28)22-11-7-4-8-12-22/h3-16H,2,17-18H2,1H3,(H,24,26).
What are the key properties of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-propylbenzamide?
4-[[N-(benzenesulfonyl)anilino]methyl]-N-propylbenzamide has a molecular weight of 408.52 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[N-(benzenesulfonyl)anilino]methyl]-N-propylbenzamide is sourced from PubChem (CID 4239264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).