4-(3,4-dimethylphenyl)sulfonyl-3-(4-fluorophenyl)morpholine

C18H20FNO3S — CID 110871749

IUPAC4-(3,4-dimethylphenyl)sulfonyl-3-(4-fluorophenyl)morpholine
SMILESCc1ccc(S(=O)(=O)N2CCOCC2c2ccc(F)cc2)cc1C
InChIInChI=1S/C18H20FNO3S/c1-13-3-8-17(11-14(13)2)24(21,22)20-9-10-23-12-18(20)15-4-6-16(19)7-5-15/h3-8,11,18H,9-10,12H2,1-2H3
InChIKeyGPAYMSGFDVYKTH-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.20
Rot. Bonds3

About 4-(3,4-dimethylphenyl)sulfonyl-3-(4-fluorophenyl)morpholine

4-(3,4-dimethylphenyl)sulfonyl-3-(4-fluorophenyl)morpholine (PubChem CID 110871749) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)sulfonyl-3-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)sulfonyl-3-(4-fluorophenyl)morpholine
PubChem CID110871749
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name4-(3,4-dimethylphenyl)sulfonyl-3-(4-fluorophenyl)morpholine
SMILESCc1ccc(S(=O)(=O)N2CCOCC2c2ccc(F)cc2)cc1C
InChIInChI=1S/C18H20FNO3S/c1-13-3-8-17(11-14(13)2)24(21,22)20-9-10-23-12-18(20)15-4-6-16(19)7-5-15/h3-8,11,18H,9-10,12H2,1-2H3
InChIKeyGPAYMSGFDVYKTH-UHFFFAOYSA-N
XLogP3.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3,4-dimethylphenyl)sulfonyl-3-(4-fluorophenyl)morpholine 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

1-[4-[3-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone
CID 110663917
3-(4-fluorophenyl)-4-(4-methoxy-2-methylphenyl)sulfonylmorpholine
CID 110663893
4-ethylsulfonyl-3-(4-fluorophenyl)morpholine
CID 110663881
3-(4-fluorophenyl)-N,N-dimethylmorpholine-4-sulfonamide
CID 110663884
(3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine
CID 102484859
(3R)-4-(4-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 71193250
3-(3-fluorophenyl)-4-pyridin-4-ylsulfonylmorpholine
CID 154763427
3-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)morpholine-4-sulfonamide
CID 71210064
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine
CID 40752604
(2R)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 101342795
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)sulfonyl-3-(4-fluorophenyl)morpholine?
The IUPAC name of 4-(3,4-dimethylphenyl)sulfonyl-3-(4-fluorophenyl)morpholine (CID 110871749) is 4-(3,4-dimethylphenyl)sulfonyl-3-(4-fluorophenyl)morpholine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)sulfonyl-3-(4-fluorophenyl)morpholine?
The canonical SMILES for 4-(3,4-dimethylphenyl)sulfonyl-3-(4-fluorophenyl)morpholine is Cc1ccc(S(=O)(=O)N2CCOCC2c2ccc(F)cc2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)sulfonyl-3-(4-fluorophenyl)morpholine?
The InChIKey is GPAYMSGFDVYKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-13-3-8-17(11-14(13)2)24(21,22)20-9-10-23-12-18(20)15-4-6-16(19)7-5-15/h3-8,11,18H,9-10,12H2,1-2H3.
What are the key properties of 4-(3,4-dimethylphenyl)sulfonyl-3-(4-fluorophenyl)morpholine?
4-(3,4-dimethylphenyl)sulfonyl-3-(4-fluorophenyl)morpholine has a molecular weight of 349.43 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)sulfonyl-3-(4-fluorophenyl)morpholine is sourced from PubChem (CID 110871749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).