8-(4-fluoro-2-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C21H25FN2O6S2 — CID 16803312

IUPAC8-(4-fluoro-2-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2ccc(F)cc2C)CC3)cc1
InChIInChI=1S/C21H25FN2O6S2/c1-16-15-17(22)3-8-20(16)32(27,28)23-11-9-21(10-12-23)24(13-14-30-21)31(25,26)19-6-4-18(29-2)5-7-19/h3-8,15H,9-14H2,1-2H3
InChIKeyOBGKPHFUIZDJHG-UHFFFAOYSA-N
MW484.57 g/mol
LogP2.34
Rot. Bonds5

About 8-(4-fluoro-2-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

8-(4-fluoro-2-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 16803312) has the molecular formula C21H25FN2O6S2 and a molecular weight of 484.57 g/mol. Its IUPAC name is 8-(4-fluoro-2-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-fluoro-2-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID16803312
Molecular FormulaC21H25FN2O6S2
Molecular Weight484.57 g/mol
Exact Mass484.11
IUPAC Name8-(4-fluoro-2-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2ccc(F)cc2C)CC3)cc1
InChIInChI=1S/C21H25FN2O6S2/c1-16-15-17(22)3-8-20(16)32(27,28)23-11-9-21(10-12-23)24(13-14-30-21)31(25,26)19-6-4-18(29-2)5-7-19/h3-8,15H,9-14H2,1-2H3
InChIKeyOBGKPHFUIZDJHG-UHFFFAOYSA-N
XLogP2.34
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-((4-Methoxyphenyl)sulfonyl)-8-(methylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 7384391
8-(Mesitylsulfonyl)-4-((4-methoxyphenyl)sulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830267
4-((4-Methoxyphenyl)sulfonyl)-8-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830268
4-(Mesitylsulfonyl)-8-((4-methoxyphenyl)sulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830276
4-fluoro-N-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 127028634
4-fluoro-N-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 127040908
3-fluoro-N-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 127041258
4,8-Bis((4-methoxyphenyl)sulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830271
8-(Ethanesulfonyl)-4-(4-methoxybenzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 7384392
8-((5-Fluoro-2-methoxyphenyl)sulfonyl)-4-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803325
8-((2,5-Difluorophenyl)sulfonyl)-4-((4-methoxyphenyl)sulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803311
8-((3,4-Dimethoxyphenyl)sulfonyl)-4-tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830261

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoro-2-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(4-fluoro-2-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 16803312) is 8-(4-fluoro-2-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(4-fluoro-2-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(4-fluoro-2-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is COc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2ccc(F)cc2C)CC3)cc1.
What is the InChIKey of 8-(4-fluoro-2-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is OBGKPHFUIZDJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O6S2/c1-16-15-17(22)3-8-20(16)32(27,28)23-11-9-21(10-12-23)24(13-14-30-21)31(25,26)19-6-4-18(29-2)5-7-19/h3-8,15H,9-14H2,1-2H3.
What are the key properties of 8-(4-fluoro-2-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-(4-fluoro-2-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 484.57 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoro-2-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 16803312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).