3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide

C24H25ClN2O3S — CID 55786930

IUPAC3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
SMILESCN(C)C(CNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1Cl
InChIInChI=1S/C24H25ClN2O3S/c1-27(2)23(21-13-6-7-14-22(21)25)16-26-24(28)19-10-8-9-18(15-19)17-31(29,30)20-11-4-3-5-12-20/h3-15,23H,16-17H2,1-2H3,(H,26,28)
InChIKeyJDPXGUGNIXGMIK-UHFFFAOYSA-N
MW457.00 g/mol
LogP4.35
Rot. Bonds8

About 3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide

3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide (PubChem CID 55786930) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
PubChem CID55786930
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
SMILESCN(C)C(CNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1Cl
InChIInChI=1S/C24H25ClN2O3S/c1-27(2)23(21-13-6-7-14-22(21)25)16-26-24(28)19-10-8-9-18(15-19)17-31(29,30)20-11-4-3-5-12-20/h3-15,23H,16-17H2,1-2H3,(H,26,28)
InChIKeyJDPXGUGNIXGMIK-UHFFFAOYSA-N
XLogP4.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]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

3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide
CID 78887849
3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 30827387
N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide
CID 55844593
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110302779
4-chloro-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 25488088
3-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
CID 51895775
[(1R)-1-(2-chlorophenyl)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl]-dimethylazanium
CID 8916153
3-chloro-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]benzamide
CID 18280256
4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 31363572
N-(3-amino-2-methylpropyl)-3-benzylsulfonylbenzamide
CID 119997939
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 25494570
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110622059

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide (CID 55786930) is 3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide is CN(C)C(CNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1Cl.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide?
The InChIKey is JDPXGUGNIXGMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-27(2)23(21-13-6-7-14-22(21)25)16-26-24(28)19-10-8-9-18(15-19)17-31(29,30)20-11-4-3-5-12-20/h3-15,23H,16-17H2,1-2H3,(H,26,28).
What are the key properties of 3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide?
3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide has a molecular weight of 457.00 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 55786930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).