4-(4-chloro-2-hydroxybenzoyl)thiomorpholine-3-carboxylic acid

C12H12ClNO4S — CID 82901277

IUPAC4-(4-chloro-2-hydroxybenzoyl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C12H12ClNO4S/c13-7-1-2-8(10(15)5-7)11(16)14-3-4-19-6-9(14)12(17)18/h1-2,5,9,15H,3-4,6H2,(H,17,18)
InChIKeyZPGXXFSOIJHYLV-UHFFFAOYSA-N
MW301.75 g/mol
LogP1.69
Rot. Bonds2

About 4-(4-chloro-2-hydroxybenzoyl)thiomorpholine-3-carboxylic acid

4-(4-chloro-2-hydroxybenzoyl)thiomorpholine-3-carboxylic acid (PubChem CID 82901277) has the molecular formula C12H12ClNO4S and a molecular weight of 301.75 g/mol. Its IUPAC name is 4-(4-chloro-2-hydroxybenzoyl)thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chloro-2-hydroxybenzoyl)thiomorpholine-3-carboxylic acid
PubChem CID82901277
Molecular FormulaC12H12ClNO4S
Molecular Weight301.75 g/mol
Exact Mass301.02
IUPAC Name4-(4-chloro-2-hydroxybenzoyl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C12H12ClNO4S/c13-7-1-2-8(10(15)5-7)11(16)14-3-4-19-6-9(14)12(17)18/h1-2,5,9,15H,3-4,6H2,(H,17,18)
InChIKeyZPGXXFSOIJHYLV-UHFFFAOYSA-N
XLogP1.69
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-chloro-2-hydroxybenzoyl)thiomorpholine-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

4-(2,4-dihydroxybenzoyl)thiomorpholine-3-carboxylic acid
CID 82901491
4-(2-chlorobenzoyl)thiomorpholine-3-carboxylic acid
CID 78979560
1-(4-chloro-2-hydroxybenzoyl)azepane-2-carboxylic acid
CID 64559155
(4-chloro-2-hydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66377184
4-(2-hydroxy-5-methylbenzoyl)thiomorpholine-3-carboxylic acid
CID 78980529
4-(3,5-dichloro-2-iodobenzoyl)thiomorpholine-3-carboxylic acid
CID 78979467
1-(4-chloro-2-hydroxybenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 24709404
4-(2-bromobenzoyl)thiomorpholine-3-carboxylic acid
CID 78979585
1-(4-chloro-2-hydroxybenzoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364519
4-(5-amino-2-bromobenzoyl)thiomorpholine-3-carboxylic acid
CID 82904926
4-(3-fluoropyridine-4-carbonyl)thiomorpholine-3-carboxylic acid
CID 82901483
4-(4-fluoro-3-methylbenzoyl)thiomorpholine-3-carboxylic acid
CID 82901000

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-hydroxybenzoyl)thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(4-chloro-2-hydroxybenzoyl)thiomorpholine-3-carboxylic acid (CID 82901277) is 4-(4-chloro-2-hydroxybenzoyl)thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(4-chloro-2-hydroxybenzoyl)thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(4-chloro-2-hydroxybenzoyl)thiomorpholine-3-carboxylic acid is O=C(O)C1CSCCN1C(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 4-(4-chloro-2-hydroxybenzoyl)thiomorpholine-3-carboxylic acid?
The InChIKey is ZPGXXFSOIJHYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO4S/c13-7-1-2-8(10(15)5-7)11(16)14-3-4-19-6-9(14)12(17)18/h1-2,5,9,15H,3-4,6H2,(H,17,18).
What are the key properties of 4-(4-chloro-2-hydroxybenzoyl)thiomorpholine-3-carboxylic acid?
4-(4-chloro-2-hydroxybenzoyl)thiomorpholine-3-carboxylic acid has a molecular weight of 301.75 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-hydroxybenzoyl)thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82901277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).