4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid

C11H12FNO4S2 — CID 56999526

IUPAC4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H12FNO4S2/c12-8-3-1-2-4-10(8)19(16,17)13-5-6-18-7-9(13)11(14)15/h1-4,9H,5-7H2,(H,14,15)
InChIKeyFSSMVAYAJYAYMA-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.02
Rot. Bonds3

About 4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid

4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid (PubChem CID 56999526) has the molecular formula C11H12FNO4S2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid
PubChem CID56999526
Molecular FormulaC11H12FNO4S2
Molecular Weight305.35 g/mol
Exact Mass305.02
IUPAC Name4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H12FNO4S2/c12-8-3-1-2-4-10(8)19(16,17)13-5-6-18-7-9(13)11(14)15/h1-4,9H,5-7H2,(H,14,15)
InChIKeyFSSMVAYAJYAYMA-UHFFFAOYSA-N
XLogP1.02
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid (CID 56999526) is 4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid is O=C(O)C1CSCCN1S(=O)(=O)c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid?
The InChIKey is FSSMVAYAJYAYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4S2/c12-8-3-1-2-4-10(8)19(16,17)13-5-6-18-7-9(13)11(14)15/h1-4,9H,5-7H2,(H,14,15).
What are the key properties of 4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid?
4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid has a molecular weight of 305.35 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid is sourced from PubChem (CID 56999526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).