8-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C20H23ClN2O6S2 — CID 16830270

IUPAC8-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1
InChIInChI=1S/C20H23ClN2O6S2/c1-28-17-4-8-19(9-5-17)31(26,27)23-14-15-29-20(23)10-12-22(13-11-20)30(24,25)18-6-2-16(21)3-7-18/h2-9H,10-15H2,1H3
InChIKeyWQQCKDGSWPRTMQ-UHFFFAOYSA-N
MW487.00 g/mol
LogP2.55
Rot. Bonds5

About 8-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

8-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 16830270) has the molecular formula C20H23ClN2O6S2 and a molecular weight of 487.00 g/mol. Its IUPAC name is 8-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID16830270
Molecular FormulaC20H23ClN2O6S2
Molecular Weight487.00 g/mol
Exact Mass486.07
IUPAC Name8-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1
InChIInChI=1S/C20H23ClN2O6S2/c1-28-17-4-8-19(9-5-17)31(26,27)23-14-15-29-20(23)10-12-22(13-11-20)30(24,25)18-6-2-16(21)3-7-18/h2-9H,10-15H2,1H3
InChIKeyWQQCKDGSWPRTMQ-UHFFFAOYSA-N
XLogP2.55
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.00
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 16830270) is 8-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is COc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1.
What is the InChIKey of 8-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is WQQCKDGSWPRTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O6S2/c1-28-17-4-8-19(9-5-17)31(26,27)23-14-15-29-20(23)10-12-22(13-11-20)30(24,25)18-6-2-16(21)3-7-18/h2-9H,10-15H2,1H3.
What are the key properties of 8-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 487.00 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 16830270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).