N-benzyl-4-[(3-chlorophenyl)sulfamoyl]-N-propylbenzamide

C23H23ClN2O3S — CID 126970809

IUPACN-benzyl-4-[(3-chlorophenyl)sulfamoyl]-N-propylbenzamide
SMILESCCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-2-15-26(17-18-7-4-3-5-8-18)23(27)19-11-13-22(14-12-19)30(28,29)25-21-10-6-9-20(24)16-21/h3-14,16,25H,2,15,17H2,1H3
InChIKeyVMGWOAVOASXXIH-UHFFFAOYSA-N
MW442.97 g/mol
LogP5.19
Rot. Bonds8

About N-benzyl-4-[(3-chlorophenyl)sulfamoyl]-N-propylbenzamide

N-benzyl-4-[(3-chlorophenyl)sulfamoyl]-N-propylbenzamide (PubChem CID 126970809) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is N-benzyl-4-[(3-chlorophenyl)sulfamoyl]-N-propylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-[(3-chlorophenyl)sulfamoyl]-N-propylbenzamide
PubChem CID126970809
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC NameN-benzyl-4-[(3-chlorophenyl)sulfamoyl]-N-propylbenzamide
SMILESCCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-2-15-26(17-18-7-4-3-5-8-18)23(27)19-11-13-22(14-12-19)30(28,29)25-21-10-6-9-20(24)16-21/h3-14,16,25H,2,15,17H2,1H3
InChIKeyVMGWOAVOASXXIH-UHFFFAOYSA-N
XLogP5.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.97
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Benzyl-N-butyl-4-(N-phenylsulfamoyl)benzamide
CID 137796294
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
CID 126508254
N-Benzyl-2-(toluene-4-sulfonylamino)-benzamide
CID 3545567
N-(2-chlorobenzyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1019165
4-methyl-N-[2-(1-piperidinylcarbonyl)phenyl]benzenesulfonamide
CID 1049835
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2473148
N-(3-acetamidophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 2482626
2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4571173
N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4781208
N-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 4783068
N-benzyl-N-methyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4789349

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(3-chlorophenyl)sulfamoyl]-N-propylbenzamide?
The IUPAC name of N-benzyl-4-[(3-chlorophenyl)sulfamoyl]-N-propylbenzamide (CID 126970809) is N-benzyl-4-[(3-chlorophenyl)sulfamoyl]-N-propylbenzamide.
What is the SMILES notation for N-benzyl-4-[(3-chlorophenyl)sulfamoyl]-N-propylbenzamide?
The canonical SMILES for N-benzyl-4-[(3-chlorophenyl)sulfamoyl]-N-propylbenzamide is CCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-benzyl-4-[(3-chlorophenyl)sulfamoyl]-N-propylbenzamide?
The InChIKey is VMGWOAVOASXXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-2-15-26(17-18-7-4-3-5-8-18)23(27)19-11-13-22(14-12-19)30(28,29)25-21-10-6-9-20(24)16-21/h3-14,16,25H,2,15,17H2,1H3.
What are the key properties of N-benzyl-4-[(3-chlorophenyl)sulfamoyl]-N-propylbenzamide?
N-benzyl-4-[(3-chlorophenyl)sulfamoyl]-N-propylbenzamide has a molecular weight of 442.97 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(3-chlorophenyl)sulfamoyl]-N-propylbenzamide is sourced from PubChem (CID 126970809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).