8-(3-chloro-4-fluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane

C13H15ClFNO3S2 — CID 56764696

IUPAC8-(3-chloro-4-fluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C13H15ClFNO3S2/c14-11-9-10(1-2-12(11)15)21(17,18)16-5-3-13(4-6-16)19-7-8-20-13/h1-2,9H,3-8H2
InChIKeyWSPVZSXJNAYVBY-UHFFFAOYSA-N
MW351.85 g/mol
LogP2.72
Rot. Bonds2

About 8-(3-chloro-4-fluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane

8-(3-chloro-4-fluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane (PubChem CID 56764696) has the molecular formula C13H15ClFNO3S2 and a molecular weight of 351.85 g/mol. Its IUPAC name is 8-(3-chloro-4-fluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-chloro-4-fluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
PubChem CID56764696
Molecular FormulaC13H15ClFNO3S2
Molecular Weight351.85 g/mol
Exact Mass351.02
IUPAC Name8-(3-chloro-4-fluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C13H15ClFNO3S2/c14-11-9-10(1-2-12(11)15)21(17,18)16-5-3-13(4-6-16)19-7-8-20-13/h1-2,9H,3-8H2
InChIKeyWSPVZSXJNAYVBY-UHFFFAOYSA-N
XLogP2.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.85
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-((2-Chlorophenyl)sulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 56764687
8-((2,6-Difluorophenyl)sulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 56764688
8-((3-Chloro-2-methylphenyl)sulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 56764694
8-((3,4-Difluorophenyl)sulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 90510721
8-(3,4,5-Trifluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 155515327
8-(Phenylsulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 56764679
8-(3-Chloro-2-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 40162118
1-((3-Chloro-4-fluorophenyl)sulfonyl)-4-methoxypiperidine
CID 47134513
1-((3-Chloro-4-fluorophenyl)sulfonyl)-3-(methylsulfonyl)pyrrolidine
CID 71805547
methyl (2S)-4-(3-chloro-4-fluorophenyl)sulfonylthiomorpholine-2-carboxylate
CID 8778040
methyl (2R)-4-(3-chloro-4-fluorophenyl)sulfonylthiomorpholine-2-carboxylate
CID 8778041
1-(4-Chloro-2-fluorophenyl)sulfonyl-4-methoxypiperidine
CID 16376396

Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-4-fluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3-chloro-4-fluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane (CID 56764696) is 8-(3-chloro-4-fluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3-chloro-4-fluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3-chloro-4-fluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane is O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC2(CC1)OCCS2.
What is the InChIKey of 8-(3-chloro-4-fluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The InChIKey is WSPVZSXJNAYVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO3S2/c14-11-9-10(1-2-12(11)15)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-(3-chloro-4-fluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
8-(3-chloro-4-fluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane has a molecular weight of 351.85 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-4-fluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 56764696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).