4-(benzenesulfonyl)-8-(4-fluoro-3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C20H23FN2O5S2 — CID 16803323

IUPAC4-(benzenesulfonyl)-8-(4-fluoro-3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCc1cc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccccc2)ccc1F
InChIInChI=1S/C20H23FN2O5S2/c1-16-15-18(7-8-19(16)21)29(24,25)22-11-9-20(10-12-22)23(13-14-28-20)30(26,27)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3
InChIKeyGJMKFWKZWOCOTK-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.34
Rot. Bonds4

About 4-(benzenesulfonyl)-8-(4-fluoro-3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

4-(benzenesulfonyl)-8-(4-fluoro-3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 16803323) has the molecular formula C20H23FN2O5S2 and a molecular weight of 454.55 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-8-(4-fluoro-3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(benzenesulfonyl)-8-(4-fluoro-3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID16803323
Molecular FormulaC20H23FN2O5S2
Molecular Weight454.55 g/mol
Exact Mass454.10
IUPAC Name4-(benzenesulfonyl)-8-(4-fluoro-3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCc1cc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccccc2)ccc1F
InChIInChI=1S/C20H23FN2O5S2/c1-16-15-18(7-8-19(16)21)29(24,25)22-11-9-20(10-12-22)23(13-14-28-20)30(26,27)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3
InChIKeyGJMKFWKZWOCOTK-UHFFFAOYSA-N
XLogP2.34
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-8-(4-fluoro-3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(benzenesulfonyl)-8-(4-fluoro-3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 16803323) is 4-(benzenesulfonyl)-8-(4-fluoro-3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(benzenesulfonyl)-8-(4-fluoro-3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(benzenesulfonyl)-8-(4-fluoro-3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is Cc1cc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccccc2)ccc1F.
What is the InChIKey of 4-(benzenesulfonyl)-8-(4-fluoro-3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is GJMKFWKZWOCOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O5S2/c1-16-15-18(7-8-19(16)21)29(24,25)22-11-9-20(10-12-22)23(13-14-28-20)30(26,27)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-8-(4-fluoro-3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
4-(benzenesulfonyl)-8-(4-fluoro-3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 454.55 g/mol, XLogP of 2.34, 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-fluoro-3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 16803323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).