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

C11H11ClFNO4S2 — CID 78980358

IUPAC4-(4-chloro-2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H11ClFNO4S2/c12-7-1-2-10(8(13)5-7)20(17,18)14-3-4-19-6-9(14)11(15)16/h1-2,5,9H,3-4,6H2,(H,15,16)
InChIKeyXZHFMHLIOIOKSF-UHFFFAOYSA-N
MW339.80 g/mol
LogP1.67
Rot. Bonds3

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

4-(4-chloro-2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid (PubChem CID 78980358) has the molecular formula C11H11ClFNO4S2 and a molecular weight of 339.80 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid
PubChem CID78980358
Molecular FormulaC11H11ClFNO4S2
Molecular Weight339.80 g/mol
Exact Mass338.98
IUPAC Name4-(4-chloro-2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H11ClFNO4S2/c12-7-1-2-10(8(13)5-7)20(17,18)14-3-4-19-6-9(14)11(15)16/h1-2,5,9H,3-4,6H2,(H,15,16)
InChIKeyXZHFMHLIOIOKSF-UHFFFAOYSA-N
XLogP1.67
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-chloro-2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-4-(2,4-difluorophenyl)sulfonylthiomorpholine-3-carboxylic acid
CID 71419679
4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid
CID 56999526
(2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 79034860
1-(4-chloro-2-fluorophenyl)sulfonylazepane-2-carboxylic acid
CID 64559200
4-(2,3-dichlorophenyl)sulfonylthiomorpholine-3-carboxylic acid
CID 78980477
(2R,4R)-1-(4-chloro-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999468
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122068626
(2R)-1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069689
4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxamide
CID 75443822
3-(5-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43361506
4-(2-cyanophenyl)sulfonylthiomorpholine-3-carboxylic acid
CID 78980391
3-(4-chloro-2-fluorophenyl)sulfonyl-N-cyclopropyl-N-methyl-1,3-thiazolidine-4-carboxamide
CID 60609403

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid (CID 78980358) is 4-(4-chloro-2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid is O=C(O)C1CSCCN1S(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid?
The InChIKey is XZHFMHLIOIOKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO4S2/c12-7-1-2-10(8(13)5-7)20(17,18)14-3-4-19-6-9(14)11(15)16/h1-2,5,9H,3-4,6H2,(H,15,16).
What are the key properties of 4-(4-chloro-2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid?
4-(4-chloro-2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid has a molecular weight of 339.80 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid is sourced from PubChem (CID 78980358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).