1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one

C16H21ClN2O5S — CID 163312739

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1cc(S(=O)(=O)N2CCCC23CCCNC3=O)c(OC)cc1Cl
InChIInChI=1S/C16H21ClN2O5S/c1-23-12-10-14(13(24-2)9-11(12)17)25(21,22)19-8-4-6-16(19)5-3-7-18-15(16)20/h9-10H,3-8H2,1-2H3,(H,18,20)
InChIKeyOAIVWSCGWKFTMI-UHFFFAOYSA-N
MW388.87 g/mol
LogP1.79
Rot. Bonds4

About 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one

1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163312739) has the molecular formula C16H21ClN2O5S and a molecular weight of 388.87 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163312739
Molecular FormulaC16H21ClN2O5S
Molecular Weight388.87 g/mol
Exact Mass388.09
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1cc(S(=O)(=O)N2CCCC23CCCNC3=O)c(OC)cc1Cl
InChIInChI=1S/C16H21ClN2O5S/c1-23-12-10-14(13(24-2)9-11(12)17)25(21,22)19-8-4-6-16(19)5-3-7-18-15(16)20/h9-10H,3-8H2,1-2H3,(H,18,20)
InChIKeyOAIVWSCGWKFTMI-UHFFFAOYSA-N
XLogP1.79
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine
CID 760766
1-(3-chloro-4-methoxyphenyl)sulfonyl-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 163314944
1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163311194
4-(4-amino-2-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 63596125
1,4-bis[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]-2-methylpiperazine
CID 44787244
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine
CID 1303338
1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinan-2-one
CID 113296301
ethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 35202543
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine
CID 16644819
3-methyl-6-[(10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-quinazoline-2,4-dione
CID 163319332
1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110757932
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one (CID 163312739) is 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one is COc1cc(S(=O)(=O)N2CCCC23CCCNC3=O)c(OC)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is OAIVWSCGWKFTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O5S/c1-23-12-10-14(13(24-2)9-11(12)17)25(21,22)19-8-4-6-16(19)5-3-7-18-15(16)20/h9-10H,3-8H2,1-2H3,(H,18,20).
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one?
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 388.87 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163312739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).