2-(4-cyclopropylsulfonylphenyl)-2-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid

C20H20O5S — CID 66747689

IUPAC2-(4-cyclopropylsulfonylphenyl)-2-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)(c1ccc(S(=O)(=O)C2CC2)cc1)C1CCc2ccccc21
InChIInChI=1S/C20H20O5S/c21-19(22)20(23,18-12-5-13-3-1-2-4-17(13)18)14-6-8-15(9-7-14)26(24,25)16-10-11-16/h1-4,6-9,16,18,23H,5,10-12H2,(H,21,22)
InChIKeyGHANKBSPSUPZTD-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.62
Rot. Bonds5

About 2-(4-cyclopropylsulfonylphenyl)-2-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid

2-(4-cyclopropylsulfonylphenyl)-2-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid (PubChem CID 66747689) has the molecular formula C20H20O5S and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-(4-cyclopropylsulfonylphenyl)-2-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(4-cyclopropylsulfonylphenyl)-2-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid
PubChem CID66747689
Molecular FormulaC20H20O5S
Molecular Weight372.44 g/mol
Exact Mass372.10
IUPAC Name2-(4-cyclopropylsulfonylphenyl)-2-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)(c1ccc(S(=O)(=O)C2CC2)cc1)C1CCc2ccccc21
InChIInChI=1S/C20H20O5S/c21-19(22)20(23,18-12-5-13-3-1-2-4-17(13)18)14-6-8-15(9-7-14)26(24,25)16-10-11-16/h1-4,6-9,16,18,23H,5,10-12H2,(H,21,22)
InChIKeyGHANKBSPSUPZTD-UHFFFAOYSA-N
XLogP2.62
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylsulfonylphenyl)-2-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(4-cyclopropylsulfonylphenyl)-2-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid (CID 66747689) is 2-(4-cyclopropylsulfonylphenyl)-2-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(4-cyclopropylsulfonylphenyl)-2-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(4-cyclopropylsulfonylphenyl)-2-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid is O=C(O)C(O)(c1ccc(S(=O)(=O)C2CC2)cc1)C1CCc2ccccc21.
What is the InChIKey of 2-(4-cyclopropylsulfonylphenyl)-2-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid?
The InChIKey is GHANKBSPSUPZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5S/c21-19(22)20(23,18-12-5-13-3-1-2-4-17(13)18)14-6-8-15(9-7-14)26(24,25)16-10-11-16/h1-4,6-9,16,18,23H,5,10-12H2,(H,21,22).
What are the key properties of 2-(4-cyclopropylsulfonylphenyl)-2-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid?
2-(4-cyclopropylsulfonylphenyl)-2-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid has a molecular weight of 372.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylsulfonylphenyl)-2-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 66747689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).