8,11-bis(benzenesulfonyl)tricyclo[4.3.3.01,6]dodeca-7,11-diene

C24H24O4S2 — CID 15741680

IUPAC8,11-bis(benzenesulfonyl)tricyclo[4.3.3.01,6]dodeca-7,11-diene
SMILESO=S(=O)(C1=CC23C=C(S(=O)(=O)c4ccccc4)CC2(CCCC3)C1)c1ccccc1
InChIInChI=1S/C24H24O4S2/c25-29(26,19-9-3-1-4-10-19)21-15-23-13-7-8-14-24(23,16-21)18-22(17-23)30(27,28)20-11-5-2-6-12-20/h1-6,9-12,15,17H,7-8,13-14,16,18H2
InChIKeyMLFIIBMDGHKNPF-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.06
Rot. Bonds4

About 8,11-bis(benzenesulfonyl)tricyclo[4.3.3.01,6]dodeca-7,11-diene

8,11-bis(benzenesulfonyl)tricyclo[4.3.3.01,6]dodeca-7,11-diene (PubChem CID 15741680) has the molecular formula C24H24O4S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 8,11-bis(benzenesulfonyl)tricyclo[4.3.3.01,6]dodeca-7,11-diene.

Molecular Properties

Compound Name8,11-bis(benzenesulfonyl)tricyclo[4.3.3.01,6]dodeca-7,11-diene
PubChem CID15741680
Molecular FormulaC24H24O4S2
Molecular Weight440.59 g/mol
Exact Mass440.11
IUPAC Name8,11-bis(benzenesulfonyl)tricyclo[4.3.3.01,6]dodeca-7,11-diene
SMILESO=S(=O)(C1=CC23C=C(S(=O)(=O)c4ccccc4)CC2(CCCC3)C1)c1ccccc1
InChIInChI=1S/C24H24O4S2/c25-29(26,19-9-3-1-4-10-19)21-15-23-13-7-8-14-24(23,16-21)18-22(17-23)30(27,28)20-11-5-2-6-12-20/h1-6,9-12,15,17H,7-8,13-14,16,18H2
InChIKeyMLFIIBMDGHKNPF-UHFFFAOYSA-N
XLogP5.06
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene
CID 1380165
cyclopenten-1-ylsulfonylbenzene
CID 580522
benzenesulfonylbenzene;thiolane 1,1-dioxide
CID 70469989
2,5-bis(benzenesulfonyl)-1,3a,4,6a-tetrahydropentalene
CID 22298015
5-(benzenesulfonyl)-3a,6a-dimethyl-3,6-dihydropentalene-1-carbonitrile
CID 14224884
3-(benzenesulfonyl)cyclopent-2-en-1-one
CID 12553274
2,3-bis(benzenesulfonyl)quinoxaline
CID 6612515
(1E)-1,3,3-tris(benzenesulfonyl)-8-methylidenecyclooctene
CID 15758915
1,2-bis(benzenesulfonyl)benzene
CID 19980733
benzenesulfonylbenzene;formonitrile
CID 174749173
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
1-(benzenesulfonyl)cyclohepta-1,3,5-triene
CID 15499467

Frequently Asked Questions

What is the IUPAC name of 8,11-bis(benzenesulfonyl)tricyclo[4.3.3.01,6]dodeca-7,11-diene?
The IUPAC name of 8,11-bis(benzenesulfonyl)tricyclo[4.3.3.01,6]dodeca-7,11-diene (CID 15741680) is 8,11-bis(benzenesulfonyl)tricyclo[4.3.3.01,6]dodeca-7,11-diene.
What is the SMILES notation for 8,11-bis(benzenesulfonyl)tricyclo[4.3.3.01,6]dodeca-7,11-diene?
The canonical SMILES for 8,11-bis(benzenesulfonyl)tricyclo[4.3.3.01,6]dodeca-7,11-diene is O=S(=O)(C1=CC23C=C(S(=O)(=O)c4ccccc4)CC2(CCCC3)C1)c1ccccc1.
What is the InChIKey of 8,11-bis(benzenesulfonyl)tricyclo[4.3.3.01,6]dodeca-7,11-diene?
The InChIKey is MLFIIBMDGHKNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4S2/c25-29(26,19-9-3-1-4-10-19)21-15-23-13-7-8-14-24(23,16-21)18-22(17-23)30(27,28)20-11-5-2-6-12-20/h1-6,9-12,15,17H,7-8,13-14,16,18H2.
What are the key properties of 8,11-bis(benzenesulfonyl)tricyclo[4.3.3.01,6]dodeca-7,11-diene?
8,11-bis(benzenesulfonyl)tricyclo[4.3.3.01,6]dodeca-7,11-diene has a molecular weight of 440.59 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-bis(benzenesulfonyl)tricyclo[4.3.3.01,6]dodeca-7,11-diene is sourced from PubChem (CID 15741680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).