7-(2,3-dichlorophenyl)sulfonyl-2,7-diazaspiro[4.5]decane

C14H18Cl2N2O2S — CID 56747043

IUPAC7-(2,3-dichlorophenyl)sulfonyl-2,7-diazaspiro[4.5]decane
SMILESO=S(=O)(c1cccc(Cl)c1Cl)N1CCCC2(CCNC2)C1
InChIInChI=1S/C14H18Cl2N2O2S/c15-11-3-1-4-12(13(11)16)21(19,20)18-8-2-5-14(10-18)6-7-17-9-14/h1,3-4,17H,2,5-10H2
InChIKeyOQHGOKJTONEYTR-UHFFFAOYSA-N
MW349.28 g/mol
LogP2.76
Rot. Bonds2

About 7-(2,3-dichlorophenyl)sulfonyl-2,7-diazaspiro[4.5]decane

7-(2,3-dichlorophenyl)sulfonyl-2,7-diazaspiro[4.5]decane (PubChem CID 56747043) has the molecular formula C14H18Cl2N2O2S and a molecular weight of 349.28 g/mol. Its IUPAC name is 7-(2,3-dichlorophenyl)sulfonyl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name7-(2,3-dichlorophenyl)sulfonyl-2,7-diazaspiro[4.5]decane
PubChem CID56747043
Molecular FormulaC14H18Cl2N2O2S
Molecular Weight349.28 g/mol
Exact Mass348.05
IUPAC Name7-(2,3-dichlorophenyl)sulfonyl-2,7-diazaspiro[4.5]decane
SMILESO=S(=O)(c1cccc(Cl)c1Cl)N1CCCC2(CCNC2)C1
InChIInChI=1S/C14H18Cl2N2O2S/c15-11-3-1-4-12(13(11)16)21(19,20)18-8-2-5-14(10-18)6-7-17-9-14/h1,3-4,17H,2,5-10H2
InChIKeyOQHGOKJTONEYTR-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102850032
2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102849967
1-(2,3-dichlorophenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963200
7-(2,5-dimethylthiophen-3-yl)sulfonyl-2,7-diazaspiro[4.5]decane
CID 122556209
(5S)-7-(6-methylquinolin-8-yl)sulfonyl-2,7-diazaspiro[4.5]decane
CID 125436956
2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane
CID 82038202
5-[5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]sulfonyl]furan-2-yl]-1,2-oxazole
CID 95219253
2-(2,5-dibromothiophen-3-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102849983
2-(5-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102850015
1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103333
2-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonane
CID 82038199
(5R)-7-(2-phenoxyethylsulfonyl)-2,7-diazaspiro[4.5]decane
CID 125438777

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dichlorophenyl)sulfonyl-2,7-diazaspiro[4.5]decane?
The IUPAC name of 7-(2,3-dichlorophenyl)sulfonyl-2,7-diazaspiro[4.5]decane (CID 56747043) is 7-(2,3-dichlorophenyl)sulfonyl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 7-(2,3-dichlorophenyl)sulfonyl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 7-(2,3-dichlorophenyl)sulfonyl-2,7-diazaspiro[4.5]decane is O=S(=O)(c1cccc(Cl)c1Cl)N1CCCC2(CCNC2)C1.
What is the InChIKey of 7-(2,3-dichlorophenyl)sulfonyl-2,7-diazaspiro[4.5]decane?
The InChIKey is OQHGOKJTONEYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2S/c15-11-3-1-4-12(13(11)16)21(19,20)18-8-2-5-14(10-18)6-7-17-9-14/h1,3-4,17H,2,5-10H2.
What are the key properties of 7-(2,3-dichlorophenyl)sulfonyl-2,7-diazaspiro[4.5]decane?
7-(2,3-dichlorophenyl)sulfonyl-2,7-diazaspiro[4.5]decane has a molecular weight of 349.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dichlorophenyl)sulfonyl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 56747043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).