4,8-bis[(2,4-dibromophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane

C19H18Br4N2O5S2 — CID 58245532

IUPAC4,8-bis[(2,4-dibromophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(Br)cc1Br)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C19H18Br4N2O5S2/c20-13-1-3-17(15(22)11-13)31(26,27)24-7-5-19(6-8-24)25(9-10-30-19)32(28,29)18-4-2-14(21)12-16(18)23/h1-4,11-12H,5-10H2
InChIKeySTJWWHYLWHESAF-UHFFFAOYSA-N
MW738.11 g/mol
LogP4.94
Rot. Bonds4

About 4,8-bis[(2,4-dibromophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane

4,8-bis[(2,4-dibromophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 58245532) has the molecular formula C19H18Br4N2O5S2 and a molecular weight of 738.11 g/mol. Its IUPAC name is 4,8-bis[(2,4-dibromophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4,8-bis[(2,4-dibromophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID58245532
Molecular FormulaC19H18Br4N2O5S2
Molecular Weight738.11 g/mol
Exact Mass733.74
IUPAC Name4,8-bis[(2,4-dibromophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(Br)cc1Br)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C19H18Br4N2O5S2/c20-13-1-3-17(15(22)11-13)31(26,27)24-7-5-19(6-8-24)25(9-10-30-19)32(28,29)18-4-2-14(21)12-16(18)23/h1-4,11-12H,5-10H2
InChIKeySTJWWHYLWHESAF-UHFFFAOYSA-N
XLogP4.94
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500738.11
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-bis[(2,4-dibromophenyl)sulfonyl]-1,4-diazepane
CID 21210164
1-(2,4-dibromophenyl)sulfonyl-4,4-dimethylazepane
CID 65282364
1-(2,4-dibromophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871444
4,8-bis(1-benzothiophen-3-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 58245521
4-(4-bromophenyl)sulfonyl-1-oxa-4-azaspiro[4.5]decane
CID 4220097
1-(2,4-dibromophenyl)sulfonyl-2,2-dimethylpyrrolidine
CID 63219170
4,8-bis(quinolin-8-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 46198949
4-[[4-(4-aminophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]sulfonyl]aniline
CID 59565071
4,8-bis[(3-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane
CID 59565045
4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 47257434
1-(2-bromo-4-methylphenyl)sulfonyl-4,4-dimethylpiperidine
CID 62924342
8-(2,5-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830263

Frequently Asked Questions

What is the IUPAC name of 4,8-bis[(2,4-dibromophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4,8-bis[(2,4-dibromophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane (CID 58245532) is 4,8-bis[(2,4-dibromophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4,8-bis[(2,4-dibromophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4,8-bis[(2,4-dibromophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane is O=S(=O)(c1ccc(Br)cc1Br)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 4,8-bis[(2,4-dibromophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is STJWWHYLWHESAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Br4N2O5S2/c20-13-1-3-17(15(22)11-13)31(26,27)24-7-5-19(6-8-24)25(9-10-30-19)32(28,29)18-4-2-14(21)12-16(18)23/h1-4,11-12H,5-10H2.
What are the key properties of 4,8-bis[(2,4-dibromophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane?
4,8-bis[(2,4-dibromophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 738.11 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-bis[(2,4-dibromophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 58245532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).