2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine

C18H20ClNO5S — CID 110327027

IUPAC2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOC(c3cccc(Cl)c3)C2)cc1OC
InChIInChI=1S/C18H20ClNO5S/c1-23-16-7-6-15(11-17(16)24-2)26(21,22)20-8-9-25-18(12-20)13-4-3-5-14(19)10-13/h3-7,10-11,18H,8-9,12H2,1-2H3
InChIKeyYPWBOQGAZLULKP-UHFFFAOYSA-N
MW397.88 g/mol
LogP3.12
Rot. Bonds5

About 2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine

2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine (PubChem CID 110327027) has the molecular formula C18H20ClNO5S and a molecular weight of 397.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine
PubChem CID110327027
Molecular FormulaC18H20ClNO5S
Molecular Weight397.88 g/mol
Exact Mass397.08
IUPAC Name2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOC(c3cccc(Cl)c3)C2)cc1OC
InChIInChI=1S/C18H20ClNO5S/c1-23-16-7-6-15(11-17(16)24-2)26(21,22)20-8-9-25-18(12-20)13-4-3-5-14(19)10-13/h3-7,10-11,18H,8-9,12H2,1-2H3
InChIKeyYPWBOQGAZLULKP-UHFFFAOYSA-N
XLogP3.12
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine
CID 110326908
2-(3-chlorophenyl)-4-(4-ethylphenyl)sulfonylmorpholine
CID 110327021
2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine
CID 110327031
(2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine
CID 51696505
(2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine
CID 42109148
2-(3-chlorophenyl)-N-methylmorpholine-4-sulfonamide
CID 110609461
2-(2-chlorophenyl)-4-(3-chlorophenyl)sulfonylmorpholine
CID 110326938
4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326818
4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327242
2-(3-chlorophenyl)-N-propylmorpholine-4-sulfonamide
CID 110609463
(2S)-4-(4-ethoxy-3-methylphenyl)sulfonyl-2-phenylmorpholine
CID 25281418
(2S,3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-2-phenylmorpholine
CID 7353221

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine?
The IUPAC name of 2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine (CID 110327027) is 2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine.
What is the SMILES notation for 2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine?
The canonical SMILES for 2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine is COc1ccc(S(=O)(=O)N2CCOC(c3cccc(Cl)c3)C2)cc1OC.
What is the InChIKey of 2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine?
The InChIKey is YPWBOQGAZLULKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO5S/c1-23-16-7-6-15(11-17(16)24-2)26(21,22)20-8-9-25-18(12-20)13-4-3-5-14(19)10-13/h3-7,10-11,18H,8-9,12H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine?
2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine has a molecular weight of 397.88 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine is sourced from PubChem (CID 110327027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).