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

C16H14N2O4S — CID 86872690

IUPAC2-methylsulfonyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2c(c1)C(=O)NC2
InChIInChI=1S/C16H14N2O4S/c1-23(21,22)14-5-3-2-4-12(14)16(20)18-11-7-6-10-9-17-15(19)13(10)8-11/h2-8H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyDLQFFTHMCDFDFC-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.59
Rot. Bonds3

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

2-methylsulfonyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide (PubChem CID 86872690) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide
PubChem CID86872690
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name2-methylsulfonyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2c(c1)C(=O)NC2
InChIInChI=1S/C16H14N2O4S/c1-23(21,22)14-5-3-2-4-12(14)16(20)18-11-7-6-10-9-17-15(19)13(10)8-11/h2-8H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyDLQFFTHMCDFDFC-UHFFFAOYSA-N
XLogP1.59
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-methylsulfonylbenzamide
CID 8701377
2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019980
N-(3-acetylphenyl)-2-methylsulfonylbenzamide
CID 2522636
N-(3,5-dichlorophenyl)-2-methylsulfonylbenzamide
CID 7565546
2-methylsulfanyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
CID 56764986
6-oxo-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyridine-3-carboxamide
CID 75418529
2-cyano-2-methyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide
CID 75418530
5-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carboxamide
CID 86872698
3,6,6-trimethyl-4-oxo-N-(3-oxo-1,2-dihydroisoindol-5-yl)-5,7-dihydro-1-benzofuran-2-carboxamide
CID 51128834
2-methoxyethyl 2,4-dimethyl-5-[(3-oxo-1,2-dihydroisoindol-5-yl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 75526442
N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide
CID 18132726
1-benzyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)triazole-4-carboxamide
CID 86872730

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide?
The IUPAC name of 2-methylsulfonyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide (CID 86872690) is 2-methylsulfonyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide.
What is the SMILES notation for 2-methylsulfonyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide?
The canonical SMILES for 2-methylsulfonyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide is CS(=O)(=O)c1ccccc1C(=O)Nc1ccc2c(c1)C(=O)NC2.
What is the InChIKey of 2-methylsulfonyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide?
The InChIKey is DLQFFTHMCDFDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-23(21,22)14-5-3-2-4-12(14)16(20)18-11-7-6-10-9-17-15(19)13(10)8-11/h2-8H,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-methylsulfonyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide?
2-methylsulfonyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide has a molecular weight of 330.37 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide is sourced from PubChem (CID 86872690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).