1-[4-[2-(3,5-dichlorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone

C18H17Cl2NO4S — CID 121134630

IUPAC1-[4-[2-(3,5-dichlorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCOC(c3cc(Cl)cc(Cl)c3)C2)cc1
InChIInChI=1S/C18H17Cl2NO4S/c1-12(22)13-2-4-17(5-3-13)26(23,24)21-6-7-25-18(11-21)14-8-15(19)10-16(20)9-14/h2-5,8-10,18H,6-7,11H2,1H3
InChIKeyCOEGFKSDDOPISI-UHFFFAOYSA-N
MW414.31 g/mol
LogP3.96
Rot. Bonds4

About 1-[4-[2-(3,5-dichlorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone

1-[4-[2-(3,5-dichlorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone (PubChem CID 121134630) has the molecular formula C18H17Cl2NO4S and a molecular weight of 414.31 g/mol. Its IUPAC name is 1-[4-[2-(3,5-dichlorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(3,5-dichlorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone
PubChem CID121134630
Molecular FormulaC18H17Cl2NO4S
Molecular Weight414.31 g/mol
Exact Mass413.03
IUPAC Name1-[4-[2-(3,5-dichlorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCOC(c3cc(Cl)cc(Cl)c3)C2)cc1
InChIInChI=1S/C18H17Cl2NO4S/c1-12(22)13-2-4-17(5-3-13)26(23,24)21-6-7-25-18(11-21)14-8-15(19)10-16(20)9-14/h2-5,8-10,18H,6-7,11H2,1H3
InChIKeyCOEGFKSDDOPISI-UHFFFAOYSA-N
XLogP3.96
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone
CID 42949946
2-(3-chlorophenyl)-4-(4-ethylphenyl)sulfonylmorpholine
CID 110327021
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylbenzoic acid
CID 110416888
(2S)-4-(5-bromothiophen-2-yl)sulfonyl-2-(3,5-dichlorophenyl)morpholine
CID 97106617
N-[4-[2-(4-methylphenyl)morpholin-4-yl]sulfonylphenyl]acetamide
CID 110326603
2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine
CID 110327027
(2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine
CID 51696505
2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine
CID 110327031
(2R)-4-(3,5-dichlorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 99827482
1-[4-(3,4-dimethylpiperazin-1-yl)sulfonylphenyl]ethanone
CID 63620566
4-(2-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 18072868

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3,5-dichlorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-[2-(3,5-dichlorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone (CID 121134630) is 1-[4-[2-(3,5-dichlorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(3,5-dichlorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-[2-(3,5-dichlorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCOC(c3cc(Cl)cc(Cl)c3)C2)cc1.
What is the InChIKey of 1-[4-[2-(3,5-dichlorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone?
The InChIKey is COEGFKSDDOPISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4S/c1-12(22)13-2-4-17(5-3-13)26(23,24)21-6-7-25-18(11-21)14-8-15(19)10-16(20)9-14/h2-5,8-10,18H,6-7,11H2,1H3.
What are the key properties of 1-[4-[2-(3,5-dichlorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone?
1-[4-[2-(3,5-dichlorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone has a molecular weight of 414.31 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3,5-dichlorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 121134630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).