N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide

C21H20N2O3S — CID 3545567

IUPACN-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C21H20N2O3S/c1-16-11-13-18(14-12-16)27(25,26)23-20-10-6-5-9-19(20)21(24)22-15-17-7-3-2-4-8-17/h2-14,23H,15H2,1H3,(H,22,24)
InChIKeyASKBFNKCMLTGPX-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.73
Rot. Bonds6

About N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide

N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 3545567) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID3545567
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C21H20N2O3S/c1-16-11-13-18(14-12-16)27(25,26)23-20-10-6-5-9-19(20)21(24)22-15-17-7-3-2-4-8-17/h2-14,23H,15H2,1H3,(H,22,24)
InChIKeyASKBFNKCMLTGPX-UHFFFAOYSA-N
XLogP3.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Benzyl-N-butyl-4-(N-phenylsulfamoyl)benzamide
CID 137796294
2-Amino-3-{4-[(2-aminoethyl)sulfamoyl]phenyl}-5-phenylbenzamide
CID 16047740
2-Amino-5-(4-fluorophenyl)-3-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide
CID 16048084
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
2-(benzenesulfonamido)-N-(thiolan-3-yl)benzamide
CID 2805665
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
3-phenyl-N-{2-[N-benzylcarbamoyl]phenyl}propanamide
CID 1277922
2-[methyl(methylsulfonyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1228113
N-butyl-4-[(phenylsulfonyl)amino]benzamide
CID 2224401
4-(3,4-Dihydroquinolin-1(2h)-Ylcarbonyl)benzenesulfonamide
CID 91827503
4-[(3-Chlorophenyl)sulfamoyl]-~{n}-(Phenylmethyl)-~{n}-Propyl-Benzamide
CID 126970809
2-amino-5-(4-fluorophenyl)-N-methyl-3-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide
CID 25190921

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 3545567) is N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is ASKBFNKCMLTGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-16-11-13-18(14-12-16)27(25,26)23-20-10-6-5-9-19(20)21(24)22-15-17-7-3-2-4-8-17/h2-14,23H,15H2,1H3,(H,22,24).
What are the key properties of N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide?
N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 380.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 3545567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).