2-(1H-inden-1-ylsulfonyl)acetic acid

C11H10O4S — CID 88639487

IUPAC2-(1H-inden-1-ylsulfonyl)acetic acid
SMILESO=C(O)CS(=O)(=O)C1C=Cc2ccccc21
InChIInChI=1S/C11H10O4S/c12-11(13)7-16(14,15)10-6-5-8-3-1-2-4-9(8)10/h1-6,10H,7H2,(H,12,13)
InChIKeyCQEMTDRMTXLXQY-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.25
Rot. Bonds3

About 2-(1H-inden-1-ylsulfonyl)acetic acid

2-(1H-inden-1-ylsulfonyl)acetic acid (PubChem CID 88639487) has the molecular formula C11H10O4S and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-(1H-inden-1-ylsulfonyl)acetic acid.

Molecular Properties

Compound Name2-(1H-inden-1-ylsulfonyl)acetic acid
PubChem CID88639487
Molecular FormulaC11H10O4S
Molecular Weight238.26 g/mol
Exact Mass238.03
IUPAC Name2-(1H-inden-1-ylsulfonyl)acetic acid
SMILESO=C(O)CS(=O)(=O)C1C=Cc2ccccc21
InChIInChI=1S/C11H10O4S/c12-11(13)7-16(14,15)10-6-5-8-3-1-2-4-9(8)10/h1-6,10H,7H2,(H,12,13)
InChIKeyCQEMTDRMTXLXQY-UHFFFAOYSA-N
XLogP1.25
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-inden-1-ylsulfonyl)acetic acid?
The IUPAC name of 2-(1H-inden-1-ylsulfonyl)acetic acid (CID 88639487) is 2-(1H-inden-1-ylsulfonyl)acetic acid.
What is the SMILES notation for 2-(1H-inden-1-ylsulfonyl)acetic acid?
The canonical SMILES for 2-(1H-inden-1-ylsulfonyl)acetic acid is O=C(O)CS(=O)(=O)C1C=Cc2ccccc21.
What is the InChIKey of 2-(1H-inden-1-ylsulfonyl)acetic acid?
The InChIKey is CQEMTDRMTXLXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4S/c12-11(13)7-16(14,15)10-6-5-8-3-1-2-4-9(8)10/h1-6,10H,7H2,(H,12,13).
What are the key properties of 2-(1H-inden-1-ylsulfonyl)acetic acid?
2-(1H-inden-1-ylsulfonyl)acetic acid has a molecular weight of 238.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-inden-1-ylsulfonyl)acetic acid is sourced from PubChem (CID 88639487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).