2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone

C16H15Cl2NO5S2 — CID 2490622

IUPAC2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)c1ccc(Cl)s1
InChIInChI=1S/C16H15Cl2NO5S2/c17-12-9-11(26(21,22)19-5-7-23-8-6-19)1-2-14(12)24-10-13(20)15-3-4-16(18)25-15/h1-4,9H,5-8,10H2
InChIKeyZHCFZDLMDIGDSN-UHFFFAOYSA-N
MW436.34 g/mol
LogP3.34
Rot. Bonds6

About 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone

2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone (PubChem CID 2490622) has the molecular formula C16H15Cl2NO5S2 and a molecular weight of 436.34 g/mol. Its IUPAC name is 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone
PubChem CID2490622
Molecular FormulaC16H15Cl2NO5S2
Molecular Weight436.34 g/mol
Exact Mass434.98
IUPAC Name2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)c1ccc(Cl)s1
InChIInChI=1S/C16H15Cl2NO5S2/c17-12-9-11(26(21,22)19-5-7-23-8-6-19)1-2-14(12)24-10-13(20)15-3-4-16(18)25-15/h1-4,9H,5-8,10H2
InChIKeyZHCFZDLMDIGDSN-UHFFFAOYSA-N
XLogP3.34
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate
CID 7457826
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(4-ethylpiperazin-1-yl)ethanone
CID 6493062
4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine
CID 7111818
methyl 5-[[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-1-benzothiophene-2-carboxylate
CID 43873739
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43873731
2-(2,4-dichlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1080666
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30402252
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 100800378
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4667285
4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758270
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43873738
(2S)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 98387923

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone?
The IUPAC name of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone (CID 2490622) is 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone?
The canonical SMILES for 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone is O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)c1ccc(Cl)s1.
What is the InChIKey of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone?
The InChIKey is ZHCFZDLMDIGDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO5S2/c17-12-9-11(26(21,22)19-5-7-23-8-6-19)1-2-14(12)24-10-13(20)15-3-4-16(18)25-15/h1-4,9H,5-8,10H2.
What are the key properties of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone?
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone has a molecular weight of 436.34 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone is sourced from PubChem (CID 2490622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).