2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid

C17H17NO5S — CID 15078394

IUPAC2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C17H17NO5S/c19-17(20)11-23-15-7-6-12-8-14(9-13(12)10-15)18-24(21,22)16-4-2-1-3-5-16/h1-7,10,14,18H,8-9,11H2,(H,19,20)
InChIKeyLGYFYGRKBKNKHO-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.60
Rot. Bonds6

About 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid

2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid (PubChem CID 15078394) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
PubChem CID15078394
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Name2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C17H17NO5S/c19-17(20)11-23-15-7-6-12-8-14(9-13(12)10-15)18-24(21,22)16-4-2-1-3-5-16/h1-7,10,14,18H,8-9,11H2,(H,19,20)
InChIKeyLGYFYGRKBKNKHO-UHFFFAOYSA-N
XLogP1.60
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
The IUPAC name of 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid (CID 15078394) is 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
The canonical SMILES for 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid is O=C(O)COc1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1)C2.
What is the InChIKey of 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
The InChIKey is LGYFYGRKBKNKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c19-17(20)11-23-15-7-6-12-8-14(9-13(12)10-15)18-24(21,22)16-4-2-1-3-5-16/h1-7,10,14,18H,8-9,11H2,(H,19,20).
What are the key properties of 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid has a molecular weight of 347.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid is sourced from PubChem (CID 15078394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).