N-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide

C24H26ClN3O3S — CID 31588662

IUPACN-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide
SMILESCN(CCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)Cc1ccccc1
InChIInChI=1S/C24H26ClN3O3S/c1-28(18-19-9-3-2-4-10-19)16-8-15-26-24(29)20-11-7-12-21(17-20)32(30,31)27-23-14-6-5-13-22(23)25/h2-7,9-14,17,27H,8,15-16,18H2,1H3,(H,26,29)
InChIKeyDWCKZPPFRFNSEI-UHFFFAOYSA-N
MW472.01 g/mol
LogP4.39
Rot. Bonds10

About N-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide

N-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide (PubChem CID 31588662) has the molecular formula C24H26ClN3O3S and a molecular weight of 472.01 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide
PubChem CID31588662
Molecular FormulaC24H26ClN3O3S
Molecular Weight472.01 g/mol
Exact Mass471.14
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide
SMILESCN(CCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)Cc1ccccc1
InChIInChI=1S/C24H26ClN3O3S/c1-28(18-19-9-3-2-4-10-19)16-8-15-26-24(29)20-11-7-12-21(17-20)32(30,31)27-23-14-6-5-13-22(23)25/h2-7,9-14,17,27H,8,15-16,18H2,1H3,(H,26,29)
InChIKeyDWCKZPPFRFNSEI-UHFFFAOYSA-N
XLogP4.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.01
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chlorophenyl)sulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
CID 109064248
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
N-benzyl-3-[(2-chlorophenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 60520179
3-[(2-chlorophenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 30859194
N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 109064246
N-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide
CID 109064243
N-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43045382
3-[(2-chlorophenyl)sulfamoyl]-N-(3-cyclohexyloxypropyl)benzamide
CID 55408428
N-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide
CID 9479518
3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 55711291
3-[(2-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513235
3-[(2-chlorophenyl)sulfamoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 32735630

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide (CID 31588662) is N-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide is CN(CCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide?
The InChIKey is DWCKZPPFRFNSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3S/c1-28(18-19-9-3-2-4-10-19)16-8-15-26-24(29)20-11-7-12-21(17-20)32(30,31)27-23-14-6-5-13-22(23)25/h2-7,9-14,17,27H,8,15-16,18H2,1H3,(H,26,29).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide?
N-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide has a molecular weight of 472.01 g/mol, XLogP of 4.39, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 31588662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).