4-(methylsulfonylmethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide

C17H16N2O4S — CID 52795671

IUPAC4-(methylsulfonylmethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3)cc1
InChIInChI=1S/C17H16N2O4S/c1-24(22,23)10-11-2-4-12(5-3-11)16(20)19-14-7-6-13-9-18-17(21)15(13)8-14/h2-8H,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyQFZUDSFZRJFJLE-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.73
Rot. Bonds4

About 4-(methylsulfonylmethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide

4-(methylsulfonylmethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide (PubChem CID 52795671) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide
PubChem CID52795671
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name4-(methylsulfonylmethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3)cc1
InChIInChI=1S/C17H16N2O4S/c1-24(22,23)10-11-2-4-12(5-3-11)16(20)19-14-7-6-13-9-18-17(21)15(13)8-14/h2-8H,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyQFZUDSFZRJFJLE-UHFFFAOYSA-N
XLogP1.73
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(methylsulfonylmethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)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-cyclopropyl-4-methyl-3-(2-oxospiro[1H-indole-3,4'-thiane]-6-yl)benzamide
CID 44250346
n-(3-Methylphenyl)-2-[4-(1-oxo-2,3-dihydro-1h-isoindol-4-yl)phenyl]acetamide
CID 5329883
N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3,4-dimethylbenzamide
CID 2812625
LY-395153
CID 656707
N-cyclopropyl-4-methyl-3-(1',1',2-trioxospiro[1H-indole-3,4'-thiane]-6-yl)benzamide
CID 44250416
[5-(Ethylamino)-1,3-dioxo-isoindolin-2-yl] methanesulfonate
CID 343514
2-benzylsulfanyl-N-(1,3-dioxoisoindol-5-yl)acetamide
CID 974864
N-cyclohexyl-4-{[(3,4-dimethylphenyl)(methylsulfonyl)amino]methyl}benzamide
CID 1107886
N-(2,3-dimethylphenyl)-3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)propanamide
CID 1534393
N-[2-(1-cyclohexen-1-yl)ethyl]-4-[(2-methylbenzyl)(methylsulfonyl)amino]benzamide
CID 2198376
2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-naphthalen-2-ylacetamide
CID 2308727
N,N-diethyl-2-[(3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetamide
CID 3782612

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide?
The IUPAC name of 4-(methylsulfonylmethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide (CID 52795671) is 4-(methylsulfonylmethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide.
What is the SMILES notation for 4-(methylsulfonylmethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide?
The canonical SMILES for 4-(methylsulfonylmethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide is CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3)cc1.
What is the InChIKey of 4-(methylsulfonylmethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide?
The InChIKey is QFZUDSFZRJFJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-24(22,23)10-11-2-4-12(5-3-11)16(20)19-14-7-6-13-9-18-17(21)15(13)8-14/h2-8H,9-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-(methylsulfonylmethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide?
4-(methylsulfonylmethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide has a molecular weight of 344.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide is sourced from PubChem (CID 52795671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).