8-(3,5-dichlorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane

C14H18Cl2N2O2S — CID 67480503

IUPAC8-(3,5-dichlorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC2(CCNC2)CC1
InChIInChI=1S/C14H18Cl2N2O2S/c15-11-7-12(16)9-13(8-11)21(19,20)18-5-2-14(3-6-18)1-4-17-10-14/h7-9,17H,1-6,10H2
InChIKeyNNJFNOSVFZKVCO-UHFFFAOYSA-N
MW349.28 g/mol
LogP2.76
Rot. Bonds2

About 8-(3,5-dichlorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane

8-(3,5-dichlorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 67480503) has the molecular formula C14H18Cl2N2O2S and a molecular weight of 349.28 g/mol. Its IUPAC name is 8-(3,5-dichlorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3,5-dichlorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID67480503
Molecular FormulaC14H18Cl2N2O2S
Molecular Weight349.28 g/mol
Exact Mass348.05
IUPAC Name8-(3,5-dichlorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC2(CCNC2)CC1
InChIInChI=1S/C14H18Cl2N2O2S/c15-11-7-12(16)9-13(8-11)21(19,20)18-5-2-14(3-6-18)1-4-17-10-14/h7-9,17H,1-6,10H2
InChIKeyNNJFNOSVFZKVCO-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-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane
CID 82038202
3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride
CID 155843749
4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine
CID 63396330
1-(3,5-dichlorophenyl)sulfonyl-1,4-diazepan-5-one
CID 60709319
8-propan-2-ylsulfonyl-2,8-diazaspiro[4.5]decane
CID 115276469
5-(3,5-dichlorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210665
8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylsulfonyl)-2,8-diazaspiro[4.5]decane
CID 136569876
2-(5-chloro-2-fluorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 120894270
9-(3,4-dichlorophenyl)sulfonyl-1,4,9-triazaspiro[5.5]undecane
CID 152529683
1-(3,5-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 26544769
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448062
1-[5-(2,7-diazaspiro[4.4]nonan-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 82038003

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dichlorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(3,5-dichlorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane (CID 67480503) is 8-(3,5-dichlorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(3,5-dichlorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(3,5-dichlorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane is O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC2(CCNC2)CC1.
What is the InChIKey of 8-(3,5-dichlorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is NNJFNOSVFZKVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2S/c15-11-7-12(16)9-13(8-11)21(19,20)18-5-2-14(3-6-18)1-4-17-10-14/h7-9,17H,1-6,10H2.
What are the key properties of 8-(3,5-dichlorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
8-(3,5-dichlorophenyl)sulfonyl-2,8-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 8-(3,5-dichlorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 67480503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).