4-[(3,4-dichlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)morpholine

C17H16Cl2FNO3S — CID 56581847

IUPAC4-[(3,4-dichlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)morpholine
SMILESO=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H16Cl2FNO3S/c18-15-6-1-12(9-16(15)19)11-25(22,23)21-7-8-24-17(10-21)13-2-4-14(20)5-3-13/h1-6,9,17H,7-8,10-11H2
InChIKeyGSLDQSKVPHCGFN-UHFFFAOYSA-N
MW404.29 g/mol
LogP4.04
Rot. Bonds4

About 4-[(3,4-dichlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)morpholine

4-[(3,4-dichlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)morpholine (PubChem CID 56581847) has the molecular formula C17H16Cl2FNO3S and a molecular weight of 404.29 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)morpholine
PubChem CID56581847
Molecular FormulaC17H16Cl2FNO3S
Molecular Weight404.29 g/mol
Exact Mass403.02
IUPAC Name4-[(3,4-dichlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)morpholine
SMILESO=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H16Cl2FNO3S/c18-15-6-1-12(9-16(15)19)11-25(22,23)21-7-8-24-17(10-21)13-2-4-14(20)5-3-13/h1-6,9,17H,7-8,10-11H2
InChIKeyGSLDQSKVPHCGFN-UHFFFAOYSA-N
XLogP4.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.29
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenyl)methylsulfonyl]-2-phenylmorpholine
CID 16895302
2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110326810
4-benzylsulfonyl-2-(4-bromophenyl)morpholine
CID 47958795
(3aR,6aS)-5-[(3,4-dichlorophenyl)methylsulfonyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120665336
1-[(3,4-dichlorophenyl)methylsulfonyl]piperazine
CID 119961725
4-[(4-methoxyphenyl)methylsulfonyl]-2-phenylmorpholine
CID 16895307
1-[(3,4-dichlorophenyl)methylsulfonyl]-4-ethylsulfonylpiperazine
CID 56581987
4-[(2-chlorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)morpholine
CID 110327273
1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-3-amine;hydrochloride
CID 119959718
4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326818
(1S,4S)-1-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 100849714
4-(2-chloro-5-fluorophenyl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
CID 75494719

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)morpholine?
The IUPAC name of 4-[(3,4-dichlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)morpholine (CID 56581847) is 4-[(3,4-dichlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)morpholine.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)morpholine?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)morpholine is O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)morpholine?
The InChIKey is GSLDQSKVPHCGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FNO3S/c18-15-6-1-12(9-16(15)19)11-25(22,23)21-7-8-24-17(10-21)13-2-4-14(20)5-3-13/h1-6,9,17H,7-8,10-11H2.
What are the key properties of 4-[(3,4-dichlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)morpholine?
4-[(3,4-dichlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)morpholine has a molecular weight of 404.29 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)morpholine is sourced from PubChem (CID 56581847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).