3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylpropanoic acid

C13H16ClNO5S — CID 60952065

IUPAC3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylpropanoic acid
SMILESO=C(O)CCS(=O)(=O)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H16ClNO5S/c14-11-3-1-10(2-4-11)12-9-15(6-7-20-12)21(18,19)8-5-13(16)17/h1-4,12H,5-9H2,(H,16,17)
InChIKeyAREXCDPEBKASKD-UHFFFAOYSA-N
MW333.79 g/mol
LogP1.52
Rot. Bonds5

About 3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylpropanoic acid

3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylpropanoic acid (PubChem CID 60952065) has the molecular formula C13H16ClNO5S and a molecular weight of 333.79 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylpropanoic acid.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylpropanoic acid
PubChem CID60952065
Molecular FormulaC13H16ClNO5S
Molecular Weight333.79 g/mol
Exact Mass333.04
IUPAC Name3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylpropanoic acid
SMILESO=C(O)CCS(=O)(=O)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H16ClNO5S/c14-11-3-1-10(2-4-11)12-9-15(6-7-20-12)21(18,19)8-5-13(16)17/h1-4,12H,5-9H2,(H,16,17)
InChIKeyAREXCDPEBKASKD-UHFFFAOYSA-N
XLogP1.52
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylpropanoic 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

2-(4-chlorophenyl)-N,N-dimethylmorpholine-4-sulfonamide
CID 47320271
3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylbenzoic acid
CID 110416888
2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine
CID 110364143
2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine
CID 121134610
2-(4-chlorophenyl)-N-propylmorpholine-4-sulfonamide
CID 110609493
1-[2-(4-chlorophenyl)morpholin-4-yl]-3-cyclopentylsulfonylpropan-1-one
CID 55947771
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110326810
2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110326607
2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110364078
2-(3-chlorophenyl)-4-[2-(2-fluorophenyl)ethylsulfonyl]morpholine
CID 110356630
4-benzylsulfonyl-2-(4-bromophenyl)morpholine
CID 47958795

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylpropanoic acid?
The IUPAC name of 3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylpropanoic acid (CID 60952065) is 3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylpropanoic acid.
What is the SMILES notation for 3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylpropanoic acid?
The canonical SMILES for 3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylpropanoic acid is O=C(O)CCS(=O)(=O)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylpropanoic acid?
The InChIKey is AREXCDPEBKASKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO5S/c14-11-3-1-10(2-4-11)12-9-15(6-7-20-12)21(18,19)8-5-13(16)17/h1-4,12H,5-9H2,(H,16,17).
What are the key properties of 3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylpropanoic acid?
3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylpropanoic acid has a molecular weight of 333.79 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylpropanoic acid is sourced from PubChem (CID 60952065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).