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

C15H15NO5S2 — CID 15078398

IUPAC2-[[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(c1)CC(NS(=O)(=O)c1cccs1)C2
InChIInChI=1S/C15H15NO5S2/c17-14(18)9-21-13-4-3-10-6-12(7-11(10)8-13)16-23(19,20)15-2-1-5-22-15/h1-5,8,12,16H,6-7,9H2,(H,17,18)
InChIKeyGYMCBAPUQOSNAQ-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.66
Rot. Bonds6

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

2-[[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid (PubChem CID 15078398) has the molecular formula C15H15NO5S2 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
PubChem CID15078398
Molecular FormulaC15H15NO5S2
Molecular Weight353.42 g/mol
Exact Mass353.04
IUPAC Name2-[[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(c1)CC(NS(=O)(=O)c1cccs1)C2
InChIInChI=1S/C15H15NO5S2/c17-14(18)9-21-13-4-3-10-6-12(7-11(10)8-13)16-23(19,20)15-2-1-5-22-15/h1-5,8,12,16H,6-7,9H2,(H,17,18)
InChIKeyGYMCBAPUQOSNAQ-UHFFFAOYSA-N
XLogP1.66
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
The IUPAC name of 2-[[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid (CID 15078398) is 2-[[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
The canonical SMILES for 2-[[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid is O=C(O)COc1ccc2c(c1)CC(NS(=O)(=O)c1cccs1)C2.
What is the InChIKey of 2-[[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
The InChIKey is GYMCBAPUQOSNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S2/c17-14(18)9-21-13-4-3-10-6-12(7-11(10)8-13)16-23(19,20)15-2-1-5-22-15/h1-5,8,12,16H,6-7,9H2,(H,17,18).
What are the key properties of 2-[[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
2-[[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid has a molecular weight of 353.42 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid is sourced from PubChem (CID 15078398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).