8-(4-chlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

C13H16ClNO4S — CID 2242102

IUPAC8-(4-chlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H16ClNO4S/c14-11-1-3-12(4-2-11)20(16,17)15-7-5-13(6-8-15)18-9-10-19-13/h1-4H,5-10H2
InChIKeyUZTKQEVXXPIYOO-UHFFFAOYSA-N
MW317.79 g/mol
LogP1.87
Rot. Bonds2

About 8-(4-chlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

8-(4-chlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 2242102) has the molecular formula C13H16ClNO4S and a molecular weight of 317.79 g/mol. Its IUPAC name is 8-(4-chlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-chlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID2242102
Molecular FormulaC13H16ClNO4S
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC Name8-(4-chlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H16ClNO4S/c14-11-1-3-12(4-2-11)20(16,17)15-7-5-13(6-8-15)18-9-10-19-13/h1-4H,5-10H2
InChIKeyUZTKQEVXXPIYOO-UHFFFAOYSA-N
XLogP1.87
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2,5-Difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 6464811
8-(Phenylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 735890
8-(3,4-Difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3828433
8-[(4-Fluorophenyl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 735891
8-[(2,5-Dichlorophenyl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6465202
8-(3-Chloro-4-methylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3354350
4-(1,4-Dioxa-8-azaspiro[4.5]decane-8-sulfonyl)benzene-1-sulfonamide
CID 71364073
4-{1,4-Dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-N,N-dimethylbenzene-1-sulfonamide
CID 1433306
4-chloro-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]benzenesulfonamide
CID 25040766
9-(3-Chloro-4-fluorobenzenesulfonyl)-1,5-dioxa-9-azaspiro[5.5]undecane
CID 23909983
8-(3-Chloro-2-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 40162118
8-(3-Fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3274905

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(4-chlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 2242102) is 8-(4-chlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(4-chlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(4-chlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is O=S(=O)(c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(4-chlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is UZTKQEVXXPIYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4S/c14-11-1-3-12(4-2-11)20(16,17)15-7-5-13(6-8-15)18-9-10-19-13/h1-4H,5-10H2.
What are the key properties of 8-(4-chlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-(4-chlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 317.79 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 2242102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).