4-(2-fluoro-N-methyl-4-sulfamoylanilino)oxolane-3-carboxylic acid

C12H15FN2O5S — CID 66236994

IUPAC4-(2-fluoro-N-methyl-4-sulfamoylanilino)oxolane-3-carboxylic acid
SMILESCN(c1ccc(S(N)(=O)=O)cc1F)C1COCC1C(=O)O
InChIInChI=1S/C12H15FN2O5S/c1-15(11-6-20-5-8(11)12(16)17)10-3-2-7(4-9(10)13)21(14,18)19/h2-4,8,11H,5-6H2,1H3,(H,16,17)(H2,14,18,19)
InChIKeyOQKJHGHZGXURPV-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.01
Rot. Bonds4

About 4-(2-fluoro-N-methyl-4-sulfamoylanilino)oxolane-3-carboxylic acid

4-(2-fluoro-N-methyl-4-sulfamoylanilino)oxolane-3-carboxylic acid (PubChem CID 66236994) has the molecular formula C12H15FN2O5S and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-(2-fluoro-N-methyl-4-sulfamoylanilino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluoro-N-methyl-4-sulfamoylanilino)oxolane-3-carboxylic acid
PubChem CID66236994
Molecular FormulaC12H15FN2O5S
Molecular Weight318.33 g/mol
Exact Mass318.07
IUPAC Name4-(2-fluoro-N-methyl-4-sulfamoylanilino)oxolane-3-carboxylic acid
SMILESCN(c1ccc(S(N)(=O)=O)cc1F)C1COCC1C(=O)O
InChIInChI=1S/C12H15FN2O5S/c1-15(11-6-20-5-8(11)12(16)17)10-3-2-7(4-9(10)13)21(14,18)19/h2-4,8,11H,5-6H2,1H3,(H,16,17)(H2,14,18,19)
InChIKeyOQKJHGHZGXURPV-UHFFFAOYSA-N
XLogP0.01
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-N-methyl-4-sulfamoylanilino)oxolane-3-carboxylic acid?
The IUPAC name of 4-(2-fluoro-N-methyl-4-sulfamoylanilino)oxolane-3-carboxylic acid (CID 66236994) is 4-(2-fluoro-N-methyl-4-sulfamoylanilino)oxolane-3-carboxylic acid.
What is the SMILES notation for 4-(2-fluoro-N-methyl-4-sulfamoylanilino)oxolane-3-carboxylic acid?
The canonical SMILES for 4-(2-fluoro-N-methyl-4-sulfamoylanilino)oxolane-3-carboxylic acid is CN(c1ccc(S(N)(=O)=O)cc1F)C1COCC1C(=O)O.
What is the InChIKey of 4-(2-fluoro-N-methyl-4-sulfamoylanilino)oxolane-3-carboxylic acid?
The InChIKey is OQKJHGHZGXURPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O5S/c1-15(11-6-20-5-8(11)12(16)17)10-3-2-7(4-9(10)13)21(14,18)19/h2-4,8,11H,5-6H2,1H3,(H,16,17)(H2,14,18,19).
What are the key properties of 4-(2-fluoro-N-methyl-4-sulfamoylanilino)oxolane-3-carboxylic acid?
4-(2-fluoro-N-methyl-4-sulfamoylanilino)oxolane-3-carboxylic acid has a molecular weight of 318.33 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-N-methyl-4-sulfamoylanilino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66236994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).