2-(2,3-dihydro-1H-inden-1-ylsulfonyl)acetamide

C11H13NO3S — CID 11579590

IUPAC2-(2,3-dihydro-1H-inden-1-ylsulfonyl)acetamide
SMILESNC(=O)CS(=O)(=O)C1CCc2ccccc21
InChIInChI=1S/C11H13NO3S/c12-11(13)7-16(14,15)10-6-5-8-3-1-2-4-9(8)10/h1-4,10H,5-7H2,(H2,12,13)
InChIKeyCHBCOIJUFZXSFT-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.57
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-1-ylsulfonyl)acetamide

2-(2,3-dihydro-1H-inden-1-ylsulfonyl)acetamide (PubChem CID 11579590) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-ylsulfonyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-ylsulfonyl)acetamide
PubChem CID11579590
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name2-(2,3-dihydro-1H-inden-1-ylsulfonyl)acetamide
SMILESNC(=O)CS(=O)(=O)C1CCc2ccccc21
InChIInChI=1S/C11H13NO3S/c12-11(13)7-16(14,15)10-6-5-8-3-1-2-4-9(8)10/h1-4,10H,5-7H2,(H2,12,13)
InChIKeyCHBCOIJUFZXSFT-UHFFFAOYSA-N
XLogP0.57
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-ylsulfonyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-ylsulfonyl)acetamide (CID 11579590) is 2-(2,3-dihydro-1H-inden-1-ylsulfonyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-ylsulfonyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-ylsulfonyl)acetamide is NC(=O)CS(=O)(=O)C1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-ylsulfonyl)acetamide?
The InChIKey is CHBCOIJUFZXSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c12-11(13)7-16(14,15)10-6-5-8-3-1-2-4-9(8)10/h1-4,10H,5-7H2,(H2,12,13).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-ylsulfonyl)acetamide?
2-(2,3-dihydro-1H-inden-1-ylsulfonyl)acetamide has a molecular weight of 239.30 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-ylsulfonyl)acetamide is sourced from PubChem (CID 11579590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).