8-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C21H25FN2O5S2 — CID 16803308

IUPAC8-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC3)cc1
InChIInChI=1S/C21H25FN2O5S2/c1-16-3-5-18(6-4-16)31(27,28)24-13-14-29-21(24)9-11-23(12-10-21)30(25,26)19-7-8-20(22)17(2)15-19/h3-8,15H,9-14H2,1-2H3
InChIKeyHRAIWFWYCKHRCJ-UHFFFAOYSA-N
MW468.57 g/mol
LogP2.64
Rot. Bonds4

About 8-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

8-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 16803308) has the molecular formula C21H25FN2O5S2 and a molecular weight of 468.57 g/mol. Its IUPAC name is 8-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID16803308
Molecular FormulaC21H25FN2O5S2
Molecular Weight468.57 g/mol
Exact Mass468.12
IUPAC Name8-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC3)cc1
InChIInChI=1S/C21H25FN2O5S2/c1-16-3-5-18(6-4-16)31(27,28)24-13-14-29-21(24)9-11-23(12-10-21)30(25,26)19-7-8-20(22)17(2)15-19/h3-8,15H,9-14H2,1-2H3
InChIKeyHRAIWFWYCKHRCJ-UHFFFAOYSA-N
XLogP2.64
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.57
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane with MolForge

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Related Compounds

4-(Mesitylsulfonyl)-8-(methylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 7384393
8-(Mesitylsulfonyl)-4-tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803306
4-(Mesitylsulfonyl)-8-tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803316
8-((4-Fluoro-3-methylphenyl)sulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803327
8-(Ethylsulfonyl)-4-tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 7384390
8-((4-Fluoro-3-methylphenyl)sulfonyl)-4-(mesitylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803319
8-((2,5-Difluorophenyl)sulfonyl)-4-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803321
4-((4-Fluoro-3-methylphenyl)sulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 44116890
4,8-Bis(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830278
4,8-Ditosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 43990157
4-Tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 44116841
8-((2,5-Difluorophenyl)sulfonyl)-4-tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803305

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 16803308) is 8-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is Cc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC3)cc1.
What is the InChIKey of 8-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is HRAIWFWYCKHRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O5S2/c1-16-3-5-18(6-4-16)31(27,28)24-13-14-29-21(24)9-11-23(12-10-21)30(25,26)19-7-8-20(22)17(2)15-19/h3-8,15H,9-14H2,1-2H3.
What are the key properties of 8-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 468.57 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 16803308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).