1-[5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]-4-methoxybenzene

C24H21FO5S2 — CID 135062258

IUPAC1-[5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]-4-methoxybenzene
SMILESCOc1ccc(C=C=CCC(F)(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H21FO5S2/c1-30-21-17-15-20(16-18-21)10-8-9-19-24(25,31(26,27)22-11-4-2-5-12-22)32(28,29)23-13-6-3-7-14-23/h2-7,9-18H,19H2,1H3
InChIKeyWDQXUJOFWPDIBX-UHFFFAOYSA-N
MW472.56 g/mol
LogP4.82
Rot. Bonds8

About 1-[5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]-4-methoxybenzene

1-[5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]-4-methoxybenzene (PubChem CID 135062258) has the molecular formula C24H21FO5S2 and a molecular weight of 472.56 g/mol. Its IUPAC name is 1-[5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]-4-methoxybenzene
PubChem CID135062258
Molecular FormulaC24H21FO5S2
Molecular Weight472.56 g/mol
Exact Mass472.08
IUPAC Name1-[5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]-4-methoxybenzene
SMILESCOc1ccc(C=C=CCC(F)(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H21FO5S2/c1-30-21-17-15-20(16-18-21)10-8-9-19-24(25,31(26,27)22-11-4-2-5-12-22)32(28,29)23-13-6-3-7-14-23/h2-7,9-18H,19H2,1H3
InChIKeyWDQXUJOFWPDIBX-UHFFFAOYSA-N
XLogP4.82
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene
CID 146026050
1-Methoxy-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 10131479
3-(4-Methoxy-benzenesulfonyl)-4-phenyl-butane-1-thiol
CID 19366830
1,2-Difluoro-4-(3-fluoro-4-methoxyphenyl)-5-[4-(methylsulfonyl)phenyl]benzene
CID 10548520
1-Methyl-4-[(4-phenoxyphenyl)sulfonyl]benzene
CID 759355
1-Methyl-3-{4-[(4-methylphenyl)sulfonyl]phenoxy}benzene
CID 786799
2-Fluoro-4-[2-(4-methanesulfonyl-phenyl)-cyclopent-1-enyl]-1-methoxy-benzene
CID 9902810
Oxirane, 2-methyl-2-((4-((4-(phenylmethoxy)phenyl)sulfonyl)phenoxy)methyl)-
CID 11718506
3-(4-Fluorophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene 1-oxide
CID 5525151
6-methoxy-2-(4-methoxyphenyl)-3-{[3-(trifluoromethyl)phenyl]sulfanyl}-1H-1-benzothiophen-1-one
CID 5863319
3-[(4-fluorophenyl)sulfanyl]-6-methoxy-2-(4-methoxyphenyl)-1H-1-benzothiophen-1-one
CID 5918921
1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-methoxybenzene
CID 14566332

Frequently Asked Questions

What is the IUPAC name of 1-[5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]-4-methoxybenzene?
The IUPAC name of 1-[5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]-4-methoxybenzene (CID 135062258) is 1-[5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]-4-methoxybenzene.
What is the SMILES notation for 1-[5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]-4-methoxybenzene?
The canonical SMILES for 1-[5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]-4-methoxybenzene is COc1ccc(C=C=CCC(F)(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-[5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]-4-methoxybenzene?
The InChIKey is WDQXUJOFWPDIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FO5S2/c1-30-21-17-15-20(16-18-21)10-8-9-19-24(25,31(26,27)22-11-4-2-5-12-22)32(28,29)23-13-6-3-7-14-23/h2-7,9-18H,19H2,1H3.
What are the key properties of 1-[5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]-4-methoxybenzene?
1-[5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]-4-methoxybenzene has a molecular weight of 472.56 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,5-bis(benzenesulfonyl)-5-fluoropenta-1,2-dienyl]-4-methoxybenzene is sourced from PubChem (CID 135062258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).