[(E)-3-(benzenesulfonyl)-1-phenylprop-2-enoxy]methylbenzene

C22H20O3S — CID 134898677

IUPAC[(E)-3-(benzenesulfonyl)-1-phenylprop-2-enoxy]methylbenzene
SMILESO=S(=O)(/C=C/C(OCc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O3S/c23-26(24,21-14-8-3-9-15-21)17-16-22(20-12-6-2-7-13-20)25-18-19-10-4-1-5-11-19/h1-17,22H,18H2/b17-16+
InChIKeyTTZVXXQFSJHVLV-WUKNDPDISA-N
MW364.47 g/mol
LogP4.93
Rot. Bonds7

About [(E)-3-(benzenesulfonyl)-1-phenylprop-2-enoxy]methylbenzene

[(E)-3-(benzenesulfonyl)-1-phenylprop-2-enoxy]methylbenzene (PubChem CID 134898677) has the molecular formula C22H20O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is [(E)-3-(benzenesulfonyl)-1-phenylprop-2-enoxy]methylbenzene.

Molecular Properties

Compound Name[(E)-3-(benzenesulfonyl)-1-phenylprop-2-enoxy]methylbenzene
PubChem CID134898677
Molecular FormulaC22H20O3S
Molecular Weight364.47 g/mol
Exact Mass364.11
IUPAC Name[(E)-3-(benzenesulfonyl)-1-phenylprop-2-enoxy]methylbenzene
SMILESO=S(=O)(/C=C/C(OCc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O3S/c23-26(24,21-14-8-3-9-15-21)17-16-22(20-12-6-2-7-13-20)25-18-19-10-4-1-5-11-19/h1-17,22H,18H2/b17-16+
InChIKeyTTZVXXQFSJHVLV-WUKNDPDISA-N
XLogP4.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11117750
[(E,1S)-3-(benzenesulfonyl)-1-[(E)-oct-2-enoxy]prop-2-enyl]benzene
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[(E)-4-(benzenesulfonyl)but-3-enoxy]methylbenzene
CID 10086281
3-(benzenesulfonyl)pent-4-en-2-yloxymethylbenzene
CID 66573502
benzhydryloxymethylbenzene
CID 11437288
[4-(1-phenylmethoxyethyl)phenyl] benzenesulfonate
CID 87298537
(E,3R)-1-(benzenesulfonyl)hept-1-en-3-ol
CID 102026404
[(1R)-2,2,2-trifluoro-1-phenylmethoxyethyl] benzenesulfonate
CID 102122262
1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene
CID 46944297
[(2S,3S)-5-methyl-3-phenylhex-4-en-2-yl]oxymethylbenzene
CID 11119498
(E,3R)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol
CID 14785606
5-(benzenesulfonyl)-1-phenylpent-4-en-1-amine
CID 67565575

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(benzenesulfonyl)-1-phenylprop-2-enoxy]methylbenzene?
The IUPAC name of [(E)-3-(benzenesulfonyl)-1-phenylprop-2-enoxy]methylbenzene (CID 134898677) is [(E)-3-(benzenesulfonyl)-1-phenylprop-2-enoxy]methylbenzene.
What is the SMILES notation for [(E)-3-(benzenesulfonyl)-1-phenylprop-2-enoxy]methylbenzene?
The canonical SMILES for [(E)-3-(benzenesulfonyl)-1-phenylprop-2-enoxy]methylbenzene is O=S(=O)(/C=C/C(OCc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-3-(benzenesulfonyl)-1-phenylprop-2-enoxy]methylbenzene?
The InChIKey is TTZVXXQFSJHVLV-WUKNDPDISA-N. The full InChI is InChI=1S/C22H20O3S/c23-26(24,21-14-8-3-9-15-21)17-16-22(20-12-6-2-7-13-20)25-18-19-10-4-1-5-11-19/h1-17,22H,18H2/b17-16+.
What are the key properties of [(E)-3-(benzenesulfonyl)-1-phenylprop-2-enoxy]methylbenzene?
[(E)-3-(benzenesulfonyl)-1-phenylprop-2-enoxy]methylbenzene has a molecular weight of 364.47 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(benzenesulfonyl)-1-phenylprop-2-enoxy]methylbenzene is sourced from PubChem (CID 134898677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).