[(E)-4,4-bis(benzenesulfonyl)pent-1-enyl]benzene

C23H22O4S2 — CID 11015444

IUPAC[(E)-4,4-bis(benzenesulfonyl)pent-1-enyl]benzene
SMILESCC(C/C=C/c1ccccc1)(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H22O4S2/c1-23(19-11-14-20-12-5-2-6-13-20,28(24,25)21-15-7-3-8-16-21)29(26,27)22-17-9-4-10-18-22/h2-18H,19H2,1H3/b14-11+
InChIKeyXEXQAAQSTRCZPY-SDNWHVSQSA-N
MW426.56 g/mol
LogP4.75
Rot. Bonds7

About [(E)-4,4-bis(benzenesulfonyl)pent-1-enyl]benzene

[(E)-4,4-bis(benzenesulfonyl)pent-1-enyl]benzene (PubChem CID 11015444) has the molecular formula C23H22O4S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is [(E)-4,4-bis(benzenesulfonyl)pent-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-4,4-bis(benzenesulfonyl)pent-1-enyl]benzene
PubChem CID11015444
Molecular FormulaC23H22O4S2
Molecular Weight426.56 g/mol
Exact Mass426.10
IUPAC Name[(E)-4,4-bis(benzenesulfonyl)pent-1-enyl]benzene
SMILESCC(C/C=C/c1ccccc1)(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H22O4S2/c1-23(19-11-14-20-12-5-2-6-13-20,28(24,25)21-15-7-3-8-16-21)29(26,27)22-17-9-4-10-18-22/h2-18H,19H2,1H3/b14-11+
InChIKeyXEXQAAQSTRCZPY-SDNWHVSQSA-N
XLogP4.75
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(E)-2-methyl-5-phenylpent-4-en-2-yl]benzene
CID 5370792
1-[(E)-4,4-bis(benzenesulfonyl)-4-fluorobut-1-enyl]-4-(2-methylpropyl)benzene
CID 135071138
[(E)-4-methyl-4-nitropent-1-enyl]benzene
CID 12811933
[(E)-4-isocyano-4-methylpent-1-enyl]benzene
CID 58555273
dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]-λ4-sulfane
CID 126693424
[(E)-4,4,4-tris(methylsulfanyl)but-1-enyl]benzene
CID 15833819
3,3-dimethyl-2-methylidene-6-phenylhex-5-enoic acid
CID 174312615
(E)-3-phenylprop-2-ene-1-sulfonyl fluoride
CID 87208395
[5,5-bis(benzenesulfonyl)-1-(2-iodophenyl)hex-2-enyl] acetate
CID 90720928
benzene;tribromomethylsulfonylbenzene
CID 70302042
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
diethyl 2-methyl-2-[(E)-3-phenylprop-2-enyl]propanedioate
CID 10957226

Frequently Asked Questions

What is the IUPAC name of [(E)-4,4-bis(benzenesulfonyl)pent-1-enyl]benzene?
The IUPAC name of [(E)-4,4-bis(benzenesulfonyl)pent-1-enyl]benzene (CID 11015444) is [(E)-4,4-bis(benzenesulfonyl)pent-1-enyl]benzene.
What is the SMILES notation for [(E)-4,4-bis(benzenesulfonyl)pent-1-enyl]benzene?
The canonical SMILES for [(E)-4,4-bis(benzenesulfonyl)pent-1-enyl]benzene is CC(C/C=C/c1ccccc1)(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(E)-4,4-bis(benzenesulfonyl)pent-1-enyl]benzene?
The InChIKey is XEXQAAQSTRCZPY-SDNWHVSQSA-N. The full InChI is InChI=1S/C23H22O4S2/c1-23(19-11-14-20-12-5-2-6-13-20,28(24,25)21-15-7-3-8-16-21)29(26,27)22-17-9-4-10-18-22/h2-18H,19H2,1H3/b14-11+.
What are the key properties of [(E)-4,4-bis(benzenesulfonyl)pent-1-enyl]benzene?
[(E)-4,4-bis(benzenesulfonyl)pent-1-enyl]benzene has a molecular weight of 426.56 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4,4-bis(benzenesulfonyl)pent-1-enyl]benzene is sourced from PubChem (CID 11015444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).