4-(benzenesulfonyl)-8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C19H21FN2O5S2 — CID 18577936

IUPAC4-(benzenesulfonyl)-8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21FN2O5S2/c20-16-6-8-18(9-7-16)28(23,24)21-12-10-19(11-13-21)22(14-15-27-19)29(25,26)17-4-2-1-3-5-17/h1-9H,10-15H2
InChIKeyVQGSOSCNNPBJGW-UHFFFAOYSA-N
MW440.52 g/mol
LogP2.03
Rot. Bonds4

About 4-(benzenesulfonyl)-8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

4-(benzenesulfonyl)-8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 18577936) has the molecular formula C19H21FN2O5S2 and a molecular weight of 440.52 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(benzenesulfonyl)-8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID18577936
Molecular FormulaC19H21FN2O5S2
Molecular Weight440.52 g/mol
Exact Mass440.09
IUPAC Name4-(benzenesulfonyl)-8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21FN2O5S2/c20-16-6-8-18(9-7-16)28(23,24)21-12-10-19(11-13-21)22(14-15-27-19)29(25,26)17-4-2-1-3-5-17/h1-9H,10-15H2
InChIKeyVQGSOSCNNPBJGW-UHFFFAOYSA-N
XLogP2.03
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine
CID 1168274
8-(Methylsulfonyl)-4-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 7384395
8-((4-Fluorophenyl)sulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 18577941
9-(3,5-Difluorophenyl)sulfonyl-2-(oxan-4-yl)-6-oxa-2,9-diazaspiro[4.5]decane
CID 169161302
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-[1-(2,4-Difluorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 46390375
3-[(3-Fluorophenyl)sulfonyl]-7-(phenylsulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane
CID 53164994
8-(Ethylsulfonyl)-4-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 7384396
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-(Phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 44116888

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(benzenesulfonyl)-8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 18577936) is 4-(benzenesulfonyl)-8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(benzenesulfonyl)-8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(benzenesulfonyl)-8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is O=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is VQGSOSCNNPBJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5S2/c20-16-6-8-18(9-7-16)28(23,24)21-12-10-19(11-13-21)22(14-15-27-19)29(25,26)17-4-2-1-3-5-17/h1-9H,10-15H2.
What are the key properties of 4-(benzenesulfonyl)-8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
4-(benzenesulfonyl)-8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 440.52 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 18577936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).