4-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]morpholine

C18H20ClNO3S — CID 2818847

IUPAC4-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]morpholine
SMILESO=S(=O)(CC(c1ccccc1)N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO3S/c19-16-6-8-17(9-7-16)24(21,22)14-18(15-4-2-1-3-5-15)20-10-12-23-13-11-20/h1-9,18H,10-14H2
InChIKeyFQKIXGNEUAMLFY-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.19
Rot. Bonds5

About 4-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]morpholine

4-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]morpholine (PubChem CID 2818847) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]morpholine
PubChem CID2818847
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name4-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]morpholine
SMILESO=S(=O)(CC(c1ccccc1)N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO3S/c19-16-6-8-17(9-7-16)24(21,22)14-18(15-4-2-1-3-5-15)20-10-12-23-13-11-20/h1-9,18H,10-14H2
InChIKeyFQKIXGNEUAMLFY-UHFFFAOYSA-N
XLogP3.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]morpholine 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-(4-chlorophenyl)sulfonyl-1-phenylethyl]morpholine?
The IUPAC name of 4-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]morpholine (CID 2818847) is 4-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]morpholine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]morpholine?
The canonical SMILES for 4-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]morpholine is O=S(=O)(CC(c1ccccc1)N1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]morpholine?
The InChIKey is FQKIXGNEUAMLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c19-16-6-8-17(9-7-16)24(21,22)14-18(15-4-2-1-3-5-15)20-10-12-23-13-11-20/h1-9,18H,10-14H2.
What are the key properties of 4-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]morpholine?
4-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]morpholine has a molecular weight of 365.88 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]morpholine is sourced from PubChem (CID 2818847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).