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

C20H23FN2O6S2 — CID 16803325

IUPAC4-(benzenesulfonyl)-8-(5-fluoro-2-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H23FN2O6S2/c1-28-18-8-7-16(21)15-19(18)31(26,27)22-11-9-20(10-12-22)23(13-14-29-20)30(24,25)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3
InChIKeyYNRPUWGBMDIQTM-UHFFFAOYSA-N
MW470.54 g/mol
LogP2.04
Rot. Bonds5

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

4-(benzenesulfonyl)-8-(5-fluoro-2-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 16803325) has the molecular formula C20H23FN2O6S2 and a molecular weight of 470.54 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-8-(5-fluoro-2-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(benzenesulfonyl)-8-(5-fluoro-2-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID16803325
Molecular FormulaC20H23FN2O6S2
Molecular Weight470.54 g/mol
Exact Mass470.10
IUPAC Name4-(benzenesulfonyl)-8-(5-fluoro-2-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H23FN2O6S2/c1-28-18-8-7-16(21)15-19(18)31(26,27)22-11-9-20(10-12-22)23(13-14-29-20)30(24,25)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3
InChIKeyYNRPUWGBMDIQTM-UHFFFAOYSA-N
XLogP2.04
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-8-(5-fluoro-2-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(benzenesulfonyl)-8-(5-fluoro-2-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 16803325) is 4-(benzenesulfonyl)-8-(5-fluoro-2-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(benzenesulfonyl)-8-(5-fluoro-2-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(benzenesulfonyl)-8-(5-fluoro-2-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is COc1ccc(F)cc1S(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-8-(5-fluoro-2-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is YNRPUWGBMDIQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O6S2/c1-28-18-8-7-16(21)15-19(18)31(26,27)22-11-9-20(10-12-22)23(13-14-29-20)30(24,25)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-8-(5-fluoro-2-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
4-(benzenesulfonyl)-8-(5-fluoro-2-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 470.54 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-8-(5-fluoro-2-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 16803325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).