4-(2-fluoro-4-sulfamoylanilino)-3-methyloxolane-3-carboxylic acid

C12H15FN2O5S — CID 66250303

IUPAC4-(2-fluoro-4-sulfamoylanilino)-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C12H15FN2O5S/c1-12(11(16)17)6-20-5-10(12)15-9-3-2-7(4-8(9)13)21(14,18)19/h2-4,10,15H,5-6H2,1H3,(H,16,17)(H2,14,18,19)
InChIKeyFDCYBYWBRXHBRE-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.37
Rot. Bonds4

About 4-(2-fluoro-4-sulfamoylanilino)-3-methyloxolane-3-carboxylic acid

4-(2-fluoro-4-sulfamoylanilino)-3-methyloxolane-3-carboxylic acid (PubChem CID 66250303) has the molecular formula C12H15FN2O5S and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-(2-fluoro-4-sulfamoylanilino)-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluoro-4-sulfamoylanilino)-3-methyloxolane-3-carboxylic acid
PubChem CID66250303
Molecular FormulaC12H15FN2O5S
Molecular Weight318.33 g/mol
Exact Mass318.07
IUPAC Name4-(2-fluoro-4-sulfamoylanilino)-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C12H15FN2O5S/c1-12(11(16)17)6-20-5-10(12)15-9-3-2-7(4-8(9)13)21(14,18)19/h2-4,10,15H,5-6H2,1H3,(H,16,17)(H2,14,18,19)
InChIKeyFDCYBYWBRXHBRE-UHFFFAOYSA-N
XLogP0.37
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-sulfamoylanilino)-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-(2-fluoro-4-sulfamoylanilino)-3-methyloxolane-3-carboxylic acid (CID 66250303) is 4-(2-fluoro-4-sulfamoylanilino)-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-(2-fluoro-4-sulfamoylanilino)-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-(2-fluoro-4-sulfamoylanilino)-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1Nc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 4-(2-fluoro-4-sulfamoylanilino)-3-methyloxolane-3-carboxylic acid?
The InChIKey is FDCYBYWBRXHBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O5S/c1-12(11(16)17)6-20-5-10(12)15-9-3-2-7(4-8(9)13)21(14,18)19/h2-4,10,15H,5-6H2,1H3,(H,16,17)(H2,14,18,19).
What are the key properties of 4-(2-fluoro-4-sulfamoylanilino)-3-methyloxolane-3-carboxylic acid?
4-(2-fluoro-4-sulfamoylanilino)-3-methyloxolane-3-carboxylic acid has a molecular weight of 318.33 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-sulfamoylanilino)-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66250303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).