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

C20H22F2N2O5S2 — CID 16803305

IUPAC8-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2cc(F)ccc2F)CC3)cc1
InChIInChI=1S/C20H22F2N2O5S2/c1-15-2-5-17(6-3-15)30(25,26)24-12-13-29-20(24)8-10-23(11-9-20)31(27,28)19-14-16(21)4-7-18(19)22/h2-7,14H,8-13H2,1H3
InChIKeyJDWSMDJJUBTNCE-UHFFFAOYSA-N
MW472.54 g/mol
LogP2.48
Rot. Bonds4

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

8-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 16803305) has the molecular formula C20H22F2N2O5S2 and a molecular weight of 472.54 g/mol. Its IUPAC name is 8-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID16803305
Molecular FormulaC20H22F2N2O5S2
Molecular Weight472.54 g/mol
Exact Mass472.09
IUPAC Name8-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2cc(F)ccc2F)CC3)cc1
InChIInChI=1S/C20H22F2N2O5S2/c1-15-2-5-17(6-3-15)30(25,26)24-12-13-29-20(24)8-10-23(11-9-20)31(27,28)19-14-16(21)4-7-18(19)22/h2-7,14H,8-13H2,1H3
InChIKeyJDWSMDJJUBTNCE-UHFFFAOYSA-N
XLogP2.48
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 16803305) is 8-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is Cc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2cc(F)ccc2F)CC3)cc1.
What is the InChIKey of 8-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is JDWSMDJJUBTNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O5S2/c1-15-2-5-17(6-3-15)30(25,26)24-12-13-29-20(24)8-10-23(11-9-20)31(27,28)19-14-16(21)4-7-18(19)22/h2-7,14H,8-13H2,1H3.
What are the key properties of 8-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 472.54 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 16803305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).