4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine

C17H17ClFNO4S — CID 110326818

IUPAC4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H17ClFNO4S/c1-23-15-7-4-13(18)10-17(15)25(21,22)20-8-9-24-16(11-20)12-2-5-14(19)6-3-12/h2-7,10,16H,8-9,11H2,1H3
InChIKeyOZDXDKMGMHKWPZ-UHFFFAOYSA-N
MW385.84 g/mol
LogP3.25
Rot. Bonds4

About 4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine

4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine (PubChem CID 110326818) has the molecular formula C17H17ClFNO4S and a molecular weight of 385.84 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
PubChem CID110326818
Molecular FormulaC17H17ClFNO4S
Molecular Weight385.84 g/mol
Exact Mass385.06
IUPAC Name4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H17ClFNO4S/c1-23-15-7-4-13(18)10-17(15)25(21,22)20-8-9-24-16(11-20)12-2-5-14(19)6-3-12/h2-7,10,16H,8-9,11H2,1H3
InChIKeyOZDXDKMGMHKWPZ-UHFFFAOYSA-N
XLogP3.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.84
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine
CID 42109148
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326792
2-(4-chlorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylmorpholine
CID 110327129
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine
CID 110364059
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)piperazin-2-one
CID 110604529
(2S)-4-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine
CID 95366969
3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740103
2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine
CID 110327027
3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine
CID 110740287
N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 125023339
1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 55563584

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine (CID 110326818) is 4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine is COc1ccc(Cl)cc1S(=O)(=O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine?
The InChIKey is OZDXDKMGMHKWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO4S/c1-23-15-7-4-13(18)10-17(15)25(21,22)20-8-9-24-16(11-20)12-2-5-14(19)6-3-12/h2-7,10,16H,8-9,11H2,1H3.
What are the key properties of 4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine?
4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine has a molecular weight of 385.84 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine is sourced from PubChem (CID 110326818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).