4-[(3-fluoro-4-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid

C12H14FNO5S — CID 66239684

IUPAC4-[(3-fluoro-4-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)NC2COCC2C(=O)O)cc1F
InChIInChI=1S/C12H14FNO5S/c1-7-2-3-8(4-10(7)13)20(17,18)14-11-6-19-5-9(11)12(15)16/h2-4,9,11,14H,5-6H2,1H3,(H,15,16)
InChIKeyGTOVPJPIKCJQJB-UHFFFAOYSA-N
MW303.31 g/mol
LogP0.51
Rot. Bonds4

About 4-[(3-fluoro-4-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid

4-[(3-fluoro-4-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid (PubChem CID 66239684) has the molecular formula C12H14FNO5S and a molecular weight of 303.31 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-fluoro-4-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
PubChem CID66239684
Molecular FormulaC12H14FNO5S
Molecular Weight303.31 g/mol
Exact Mass303.06
IUPAC Name4-[(3-fluoro-4-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)NC2COCC2C(=O)O)cc1F
InChIInChI=1S/C12H14FNO5S/c1-7-2-3-8(4-10(7)13)20(17,18)14-11-6-19-5-9(11)12(15)16/h2-4,9,11,14H,5-6H2,1H3,(H,15,16)
InChIKeyGTOVPJPIKCJQJB-UHFFFAOYSA-N
XLogP0.51
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3-fluoro-4-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid (CID 66239684) is 4-[(3-fluoro-4-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3-fluoro-4-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3-fluoro-4-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid is Cc1ccc(S(=O)(=O)NC2COCC2C(=O)O)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid?
The InChIKey is GTOVPJPIKCJQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO5S/c1-7-2-3-8(4-10(7)13)20(17,18)14-11-6-19-5-9(11)12(15)16/h2-4,9,11,14H,5-6H2,1H3,(H,15,16).
What are the key properties of 4-[(3-fluoro-4-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid?
4-[(3-fluoro-4-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid has a molecular weight of 303.31 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66239684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).