3-[(3-chlorophenyl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one

C14H18ClNO4S — CID 3422814

IUPAC3-[(3-chlorophenyl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCS(=O)(=O)Cc1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C14H18ClNO4S/c15-13-3-1-2-12(10-13)11-21(18,19)9-4-14(17)16-5-7-20-8-6-16/h1-3,10H,4-9,11H2
InChIKeyOGJGWGGPXFMRTF-UHFFFAOYSA-N
MW331.82 g/mol
LogP1.50
Rot. Bonds5

About 3-[(3-chlorophenyl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one

3-[(3-chlorophenyl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one (PubChem CID 3422814) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one
PubChem CID3422814
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name3-[(3-chlorophenyl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCS(=O)(=O)Cc1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C14H18ClNO4S/c15-13-3-1-2-12(10-13)11-21(18,19)9-4-14(17)16-5-7-20-8-6-16/h1-3,10H,4-9,11H2
InChIKeyOGJGWGGPXFMRTF-UHFFFAOYSA-N
XLogP1.50
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(3-chlorophenyl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one 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 3-[(3-chlorophenyl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(3-chlorophenyl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one (CID 3422814) is 3-[(3-chlorophenyl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(3-chlorophenyl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(3-chlorophenyl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one is O=C(CCS(=O)(=O)Cc1cccc(Cl)c1)N1CCOCC1.
What is the InChIKey of 3-[(3-chlorophenyl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is OGJGWGGPXFMRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c15-13-3-1-2-12(10-13)11-21(18,19)9-4-14(17)16-5-7-20-8-6-16/h1-3,10H,4-9,11H2.
What are the key properties of 3-[(3-chlorophenyl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one?
3-[(3-chlorophenyl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 331.82 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 3422814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).