8-(2,5-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C20H22F2N2O6S2 — CID 16803311

IUPAC8-(2,5-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2cc(F)ccc2F)CC3)cc1
InChIInChI=1S/C20H22F2N2O6S2/c1-29-16-3-5-17(6-4-16)31(25,26)24-12-13-30-20(24)8-10-23(11-9-20)32(27,28)19-14-15(21)2-7-18(19)22/h2-7,14H,8-13H2,1H3
InChIKeyHUEHPDHHIPBNMD-UHFFFAOYSA-N
MW488.53 g/mol
LogP2.18
Rot. Bonds5

About 8-(2,5-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

8-(2,5-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 16803311) has the molecular formula C20H22F2N2O6S2 and a molecular weight of 488.53 g/mol. Its IUPAC name is 8-(2,5-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2,5-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID16803311
Molecular FormulaC20H22F2N2O6S2
Molecular Weight488.53 g/mol
Exact Mass488.09
IUPAC Name8-(2,5-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2cc(F)ccc2F)CC3)cc1
InChIInChI=1S/C20H22F2N2O6S2/c1-29-16-3-5-17(6-4-16)31(25,26)24-12-13-30-20(24)8-10-23(11-9-20)32(27,28)19-14-15(21)2-7-18(19)22/h2-7,14H,8-13H2,1H3
InChIKeyHUEHPDHHIPBNMD-UHFFFAOYSA-N
XLogP2.18
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.53
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(2,5-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane with MolForge

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Related Compounds

Dasa-23
CID 25243725
1-[(4-Methoxyphenyl)sulfonyl]-4-(pyrrolidin-1-yl)piperidine
CID 1121648
3-fluoro-4-methoxy-N-[3-(morpholin-4-yl)propyl]benzenesulfonamide
CID 6471347
4-[(4-Phenoxyphenyl)sulfonyl]morpholine
CID 796473
4-{4-[4-(Morpholine-4-sulfonyl)phenoxy]benzenesulfonyl}morpholine
CID 1077177
4-((4-Methoxyphenyl)sulfonyl)-8-(methylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 7384391
8-((4-Fluoro-2-methylphenyl)sulfonyl)-4-((4-methoxyphenyl)sulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803312
4-((4-Methoxyphenyl)sulfonyl)-8-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830265
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
8-((4-Chlorophenyl)sulfonyl)-4-((4-methoxyphenyl)sulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830270
4-(Mesitylsulfonyl)-8-((4-methoxyphenyl)sulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830276

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(2,5-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 16803311) is 8-(2,5-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(2,5-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(2,5-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is COc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2cc(F)ccc2F)CC3)cc1.
What is the InChIKey of 8-(2,5-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is HUEHPDHHIPBNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O6S2/c1-29-16-3-5-17(6-4-16)31(25,26)24-12-13-30-20(24)8-10-23(11-9-20)32(27,28)19-14-15(21)2-7-18(19)22/h2-7,14H,8-13H2,1H3.
What are the key properties of 8-(2,5-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-(2,5-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 488.53 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 16803311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).