2-(2,4-dichlorophenoxy)-1-(8-ethenylsulfonyl-2-azaspiro[4.5]decan-2-yl)ethanone

C19H23Cl2NO4S — CID 154621465

IUPAC2-(2,4-dichlorophenoxy)-1-(8-ethenylsulfonyl-2-azaspiro[4.5]decan-2-yl)ethanone
SMILESC=CS(=O)(=O)C1CCC2(CC1)CCN(C(=O)COc1ccc(Cl)cc1Cl)C2
InChIInChI=1S/C19H23Cl2NO4S/c1-2-27(24,25)15-5-7-19(8-6-15)9-10-22(13-19)18(23)12-26-17-4-3-14(20)11-16(17)21/h2-4,11,15H,1,5-10,12-13H2
InChIKeyUFIWCTUEDFWTDZ-UHFFFAOYSA-N
MW432.37 g/mol
LogP4.09
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-1-(8-ethenylsulfonyl-2-azaspiro[4.5]decan-2-yl)ethanone

2-(2,4-dichlorophenoxy)-1-(8-ethenylsulfonyl-2-azaspiro[4.5]decan-2-yl)ethanone (PubChem CID 154621465) has the molecular formula C19H23Cl2NO4S and a molecular weight of 432.37 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-(8-ethenylsulfonyl-2-azaspiro[4.5]decan-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-(8-ethenylsulfonyl-2-azaspiro[4.5]decan-2-yl)ethanone
PubChem CID154621465
Molecular FormulaC19H23Cl2NO4S
Molecular Weight432.37 g/mol
Exact Mass431.07
IUPAC Name2-(2,4-dichlorophenoxy)-1-(8-ethenylsulfonyl-2-azaspiro[4.5]decan-2-yl)ethanone
SMILESC=CS(=O)(=O)C1CCC2(CC1)CCN(C(=O)COc1ccc(Cl)cc1Cl)C2
InChIInChI=1S/C19H23Cl2NO4S/c1-2-27(24,25)15-5-7-19(8-6-15)9-10-22(13-19)18(23)12-26-17-4-3-14(20)11-16(17)21/h2-4,11,15H,1,5-10,12-13H2
InChIKeyUFIWCTUEDFWTDZ-UHFFFAOYSA-N
XLogP4.09
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-1-(7-ethenylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)ethanone
CID 123737817
2-(2,4-dichlorophenoxy)-1-(7-ethenylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone
CID 123501873
1-[5-[2-(2,4-dichlorophenoxy)acetyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]but-3-en-1-one
CID 170069657
1-[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 155952715
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
1-cyclopropyl-4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-2-one
CID 110720754
1-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 166893420
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 108533425
2-(2,4-dichlorophenoxy)-1-(4-prop-2-enyl-1,4-diazepan-1-yl)ethanone
CID 95750016
2-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119644105
2-(2-bromo-4-chlorophenoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727030
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-3-sulfanylpropan-1-one
CID 71819731

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-(8-ethenylsulfonyl-2-azaspiro[4.5]decan-2-yl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-(8-ethenylsulfonyl-2-azaspiro[4.5]decan-2-yl)ethanone (CID 154621465) is 2-(2,4-dichlorophenoxy)-1-(8-ethenylsulfonyl-2-azaspiro[4.5]decan-2-yl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-(8-ethenylsulfonyl-2-azaspiro[4.5]decan-2-yl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-(8-ethenylsulfonyl-2-azaspiro[4.5]decan-2-yl)ethanone is C=CS(=O)(=O)C1CCC2(CC1)CCN(C(=O)COc1ccc(Cl)cc1Cl)C2.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-(8-ethenylsulfonyl-2-azaspiro[4.5]decan-2-yl)ethanone?
The InChIKey is UFIWCTUEDFWTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO4S/c1-2-27(24,25)15-5-7-19(8-6-15)9-10-22(13-19)18(23)12-26-17-4-3-14(20)11-16(17)21/h2-4,11,15H,1,5-10,12-13H2.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-(8-ethenylsulfonyl-2-azaspiro[4.5]decan-2-yl)ethanone?
2-(2,4-dichlorophenoxy)-1-(8-ethenylsulfonyl-2-azaspiro[4.5]decan-2-yl)ethanone has a molecular weight of 432.37 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-(8-ethenylsulfonyl-2-azaspiro[4.5]decan-2-yl)ethanone is sourced from PubChem (CID 154621465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).