4-(2-sulfamoylanilino)oxolane-3-carboxylic acid

C11H14N2O5S — CID 66239707

IUPAC4-(2-sulfamoylanilino)oxolane-3-carboxylic acid
SMILESNS(=O)(=O)c1ccccc1NC1COCC1C(=O)O
InChIInChI=1S/C11H14N2O5S/c12-19(16,17)10-4-2-1-3-8(10)13-9-6-18-5-7(9)11(14)15/h1-4,7,9,13H,5-6H2,(H,14,15)(H2,12,16,17)
InChIKeyZKBBMTROAJXJSI-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.15
Rot. Bonds4

About 4-(2-sulfamoylanilino)oxolane-3-carboxylic acid

4-(2-sulfamoylanilino)oxolane-3-carboxylic acid (PubChem CID 66239707) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-(2-sulfamoylanilino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-sulfamoylanilino)oxolane-3-carboxylic acid
PubChem CID66239707
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name4-(2-sulfamoylanilino)oxolane-3-carboxylic acid
SMILESNS(=O)(=O)c1ccccc1NC1COCC1C(=O)O
InChIInChI=1S/C11H14N2O5S/c12-19(16,17)10-4-2-1-3-8(10)13-9-6-18-5-7(9)11(14)15/h1-4,7,9,13H,5-6H2,(H,14,15)(H2,12,16,17)
InChIKeyZKBBMTROAJXJSI-UHFFFAOYSA-N
XLogP-0.15
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-sulfamoylanilino)oxolane-3-carboxylic acid?
The IUPAC name of 4-(2-sulfamoylanilino)oxolane-3-carboxylic acid (CID 66239707) is 4-(2-sulfamoylanilino)oxolane-3-carboxylic acid.
What is the SMILES notation for 4-(2-sulfamoylanilino)oxolane-3-carboxylic acid?
The canonical SMILES for 4-(2-sulfamoylanilino)oxolane-3-carboxylic acid is NS(=O)(=O)c1ccccc1NC1COCC1C(=O)O.
What is the InChIKey of 4-(2-sulfamoylanilino)oxolane-3-carboxylic acid?
The InChIKey is ZKBBMTROAJXJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c12-19(16,17)10-4-2-1-3-8(10)13-9-6-18-5-7(9)11(14)15/h1-4,7,9,13H,5-6H2,(H,14,15)(H2,12,16,17).
What are the key properties of 4-(2-sulfamoylanilino)oxolane-3-carboxylic acid?
4-(2-sulfamoylanilino)oxolane-3-carboxylic acid has a molecular weight of 286.31 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-sulfamoylanilino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66239707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).