4,8-bis[(3,4-difluorophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane

C19H18F4N2O5S2 — CID 58245559

IUPAC4,8-bis[(3,4-difluorophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C19H18F4N2O5S2/c20-15-3-1-13(11-17(15)22)31(26,27)24-7-5-19(6-8-24)25(9-10-30-19)32(28,29)14-2-4-16(21)18(23)12-14/h1-4,11-12H,5-10H2
InChIKeyUFTCXSCCAMQPSU-UHFFFAOYSA-N
MW494.49 g/mol
LogP2.44
Rot. Bonds4

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

4,8-bis[(3,4-difluorophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 58245559) has the molecular formula C19H18F4N2O5S2 and a molecular weight of 494.49 g/mol. Its IUPAC name is 4,8-bis[(3,4-difluorophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4,8-bis[(3,4-difluorophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID58245559
Molecular FormulaC19H18F4N2O5S2
Molecular Weight494.49 g/mol
Exact Mass494.06
IUPAC Name4,8-bis[(3,4-difluorophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C19H18F4N2O5S2/c20-15-3-1-13(11-17(15)22)31(26,27)24-7-5-19(6-8-24)25(9-10-30-19)32(28,29)14-2-4-16(21)18(23)12-14/h1-4,11-12H,5-10H2
InChIKeyUFTCXSCCAMQPSU-UHFFFAOYSA-N
XLogP2.44
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.49
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,8-bis[(3,4-difluorophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4,8-bis[(3,4-difluorophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane (CID 58245559) is 4,8-bis[(3,4-difluorophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4,8-bis[(3,4-difluorophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4,8-bis[(3,4-difluorophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane is O=S(=O)(c1ccc(F)c(F)c1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 4,8-bis[(3,4-difluorophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is UFTCXSCCAMQPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O5S2/c20-15-3-1-13(11-17(15)22)31(26,27)24-7-5-19(6-8-24)25(9-10-30-19)32(28,29)14-2-4-16(21)18(23)12-14/h1-4,11-12H,5-10H2.
What are the key properties of 4,8-bis[(3,4-difluorophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane?
4,8-bis[(3,4-difluorophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 494.49 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-bis[(3,4-difluorophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 58245559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).