2-(5-chloro-2-fluorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane

C14H18ClFN2O2S — CID 120894270

IUPAC2-(5-chloro-2-fluorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1cc(Cl)ccc1F)N1CCC2(CCNCC2)C1
InChIInChI=1S/C14H18ClFN2O2S/c15-11-1-2-12(16)13(9-11)21(19,20)18-8-5-14(10-18)3-6-17-7-4-14/h1-2,9,17H,3-8,10H2
InChIKeyIHBUYDGJPPMMSS-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.24
Rot. Bonds2

About 2-(5-chloro-2-fluorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane

2-(5-chloro-2-fluorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 120894270) has the molecular formula C14H18ClFN2O2S and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID120894270
Molecular FormulaC14H18ClFN2O2S
Molecular Weight332.83 g/mol
Exact Mass332.08
IUPAC Name2-(5-chloro-2-fluorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1cc(Cl)ccc1F)N1CCC2(CCNCC2)C1
InChIInChI=1S/C14H18ClFN2O2S/c15-11-1-2-12(16)13(9-11)21(19,20)18-8-5-14(10-18)3-6-17-7-4-14/h1-2,9,17H,3-8,10H2
InChIKeyIHBUYDGJPPMMSS-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane (CID 120894270) is 2-(5-chloro-2-fluorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane is O=S(=O)(c1cc(Cl)ccc1F)N1CCC2(CCNCC2)C1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is IHBUYDGJPPMMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2S/c15-11-1-2-12(16)13(9-11)21(19,20)18-8-5-14(10-18)3-6-17-7-4-14/h1-2,9,17H,3-8,10H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
2-(5-chloro-2-fluorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 332.83 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 120894270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).