1-bromo-4-(4-bromo-2,5-diethylphenyl)sulfonyl-2,5-diethylbenzene

C20H24Br2O2S — CID 19013678

IUPAC1-bromo-4-(4-bromo-2,5-diethylphenyl)sulfonyl-2,5-diethylbenzene
SMILESCCc1cc(S(=O)(=O)c2cc(CC)c(Br)cc2CC)c(CC)cc1Br
InChIInChI=1S/C20H24Br2O2S/c1-5-13-11-19(15(7-3)9-17(13)21)25(23,24)20-12-14(6-2)18(22)10-16(20)8-4/h9-12H,5-8H2,1-4H3
InChIKeyKBBHUNIXDJPEOC-UHFFFAOYSA-N
MW488.29 g/mol
LogP6.29
Rot. Bonds6

About 1-bromo-4-(4-bromo-2,5-diethylphenyl)sulfonyl-2,5-diethylbenzene

1-bromo-4-(4-bromo-2,5-diethylphenyl)sulfonyl-2,5-diethylbenzene (PubChem CID 19013678) has the molecular formula C20H24Br2O2S and a molecular weight of 488.29 g/mol. Its IUPAC name is 1-bromo-4-(4-bromo-2,5-diethylphenyl)sulfonyl-2,5-diethylbenzene.

Molecular Properties

Compound Name1-bromo-4-(4-bromo-2,5-diethylphenyl)sulfonyl-2,5-diethylbenzene
PubChem CID19013678
Molecular FormulaC20H24Br2O2S
Molecular Weight488.29 g/mol
Exact Mass485.99
IUPAC Name1-bromo-4-(4-bromo-2,5-diethylphenyl)sulfonyl-2,5-diethylbenzene
SMILESCCc1cc(S(=O)(=O)c2cc(CC)c(Br)cc2CC)c(CC)cc1Br
InChIInChI=1S/C20H24Br2O2S/c1-5-13-11-19(15(7-3)9-17(13)21)25(23,24)20-12-14(6-2)18(22)10-16(20)8-4/h9-12H,5-8H2,1-4H3
InChIKeyKBBHUNIXDJPEOC-UHFFFAOYSA-N
XLogP6.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.29
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-bromo-2,5-diethylphenyl)sulfonyl-2,5-diethylbenzene?
The IUPAC name of 1-bromo-4-(4-bromo-2,5-diethylphenyl)sulfonyl-2,5-diethylbenzene (CID 19013678) is 1-bromo-4-(4-bromo-2,5-diethylphenyl)sulfonyl-2,5-diethylbenzene.
What is the SMILES notation for 1-bromo-4-(4-bromo-2,5-diethylphenyl)sulfonyl-2,5-diethylbenzene?
The canonical SMILES for 1-bromo-4-(4-bromo-2,5-diethylphenyl)sulfonyl-2,5-diethylbenzene is CCc1cc(S(=O)(=O)c2cc(CC)c(Br)cc2CC)c(CC)cc1Br.
What is the InChIKey of 1-bromo-4-(4-bromo-2,5-diethylphenyl)sulfonyl-2,5-diethylbenzene?
The InChIKey is KBBHUNIXDJPEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Br2O2S/c1-5-13-11-19(15(7-3)9-17(13)21)25(23,24)20-12-14(6-2)18(22)10-16(20)8-4/h9-12H,5-8H2,1-4H3.
What are the key properties of 1-bromo-4-(4-bromo-2,5-diethylphenyl)sulfonyl-2,5-diethylbenzene?
1-bromo-4-(4-bromo-2,5-diethylphenyl)sulfonyl-2,5-diethylbenzene has a molecular weight of 488.29 g/mol, XLogP of 6.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-bromo-2,5-diethylphenyl)sulfonyl-2,5-diethylbenzene is sourced from PubChem (CID 19013678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).