4-(2,3-dichlorophenyl)sulfonylthiomorpholine-3-carboxylic acid

C11H11Cl2NO4S2 — CID 78980477

IUPAC4-(2,3-dichlorophenyl)sulfonylthiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2NO4S2/c12-7-2-1-3-9(10(7)13)20(17,18)14-4-5-19-6-8(14)11(15)16/h1-3,8H,4-6H2,(H,15,16)
InChIKeyHTOOFRLQPQMGHX-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.18
Rot. Bonds3

About 4-(2,3-dichlorophenyl)sulfonylthiomorpholine-3-carboxylic acid

4-(2,3-dichlorophenyl)sulfonylthiomorpholine-3-carboxylic acid (PubChem CID 78980477) has the molecular formula C11H11Cl2NO4S2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)sulfonylthiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)sulfonylthiomorpholine-3-carboxylic acid
PubChem CID78980477
Molecular FormulaC11H11Cl2NO4S2
Molecular Weight356.25 g/mol
Exact Mass354.95
IUPAC Name4-(2,3-dichlorophenyl)sulfonylthiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2NO4S2/c12-7-2-1-3-9(10(7)13)20(17,18)14-4-5-19-6-8(14)11(15)16/h1-3,8H,4-6H2,(H,15,16)
InChIKeyHTOOFRLQPQMGHX-UHFFFAOYSA-N
XLogP2.18
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dichlorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)sulfonylthiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(2,3-dichlorophenyl)sulfonylthiomorpholine-3-carboxylic acid (CID 78980477) is 4-(2,3-dichlorophenyl)sulfonylthiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(2,3-dichlorophenyl)sulfonylthiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(2,3-dichlorophenyl)sulfonylthiomorpholine-3-carboxylic acid is O=C(O)C1CSCCN1S(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 4-(2,3-dichlorophenyl)sulfonylthiomorpholine-3-carboxylic acid?
The InChIKey is HTOOFRLQPQMGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO4S2/c12-7-2-1-3-9(10(7)13)20(17,18)14-4-5-19-6-8(14)11(15)16/h1-3,8H,4-6H2,(H,15,16).
What are the key properties of 4-(2,3-dichlorophenyl)sulfonylthiomorpholine-3-carboxylic acid?
4-(2,3-dichlorophenyl)sulfonylthiomorpholine-3-carboxylic acid has a molecular weight of 356.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)sulfonylthiomorpholine-3-carboxylic acid is sourced from PubChem (CID 78980477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).