2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid

C18H17NO5S — CID 59314323

IUPAC2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCS(=O)(=O)c1ccccc1C(=O)NC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C18H17NO5S/c1-25(23,24)15-9-5-4-8-14(15)16(20)19-18(17(21)22)10-12-6-2-3-7-13(12)11-18/h2-9H,10-11H2,1H3,(H,19,20)(H,21,22)
InChIKeyNTIWDBLTGFZFGZ-UHFFFAOYSA-N
MW359.40 g/mol
LogP1.44
Rot. Bonds4

About 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid

2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 59314323) has the molecular formula C18H17NO5S and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID59314323
Molecular FormulaC18H17NO5S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Name2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCS(=O)(=O)c1ccccc1C(=O)NC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C18H17NO5S/c1-25(23,24)15-9-5-4-8-14(15)16(20)19-18(17(21)22)10-12-6-2-3-7-13(12)11-18/h2-9H,10-11H2,1H3,(H,19,20)(H,21,22)
InChIKeyNTIWDBLTGFZFGZ-UHFFFAOYSA-N
XLogP1.44
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid (CID 59314323) is 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid is CS(=O)(=O)c1ccccc1C(=O)NC1(C(=O)O)Cc2ccccc2C1.
What is the InChIKey of 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is NTIWDBLTGFZFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5S/c1-25(23,24)15-9-5-4-8-14(15)16(20)19-18(17(21)22)10-12-6-2-3-7-13(12)11-18/h2-9H,10-11H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 359.40 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 59314323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).