8-(2,5-dichlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

C13H15Cl2NO4S — CID 6465202

IUPAC8-(2,5-dichlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H15Cl2NO4S/c14-10-1-2-11(15)12(9-10)21(17,18)16-5-3-13(4-6-16)19-7-8-20-13/h1-2,9H,3-8H2
InChIKeyGJTSNVPVFKGQGH-UHFFFAOYSA-N
MW352.24 g/mol
LogP2.52
Rot. Bonds2

About 8-(2,5-dichlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

8-(2,5-dichlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 6465202) has the molecular formula C13H15Cl2NO4S and a molecular weight of 352.24 g/mol. Its IUPAC name is 8-(2,5-dichlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2,5-dichlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID6465202
Molecular FormulaC13H15Cl2NO4S
Molecular Weight352.24 g/mol
Exact Mass351.01
IUPAC Name8-(2,5-dichlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H15Cl2NO4S/c14-10-1-2-11(15)12(9-10)21(17,18)16-5-3-13(4-6-16)19-7-8-20-13/h1-2,9H,3-8H2
InChIKeyGJTSNVPVFKGQGH-UHFFFAOYSA-N
XLogP2.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dichlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2,5-dichlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 6465202) is 8-(2,5-dichlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2,5-dichlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2,5-dichlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(2,5-dichlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is GJTSNVPVFKGQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO4S/c14-10-1-2-11(15)12(9-10)21(17,18)16-5-3-13(4-6-16)19-7-8-20-13/h1-2,9H,3-8H2.
What are the key properties of 8-(2,5-dichlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-(2,5-dichlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 352.24 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dichlorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 6465202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).