1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine

C19H20ClFN2O2S — CID 8748784

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C19H20ClFN2O2S/c20-18-7-4-8-19(21)17(18)15-22-10-12-23(13-11-22)26(24,25)14-9-16-5-2-1-3-6-16/h1-9,14H,10-13,15H2/b14-9+
InChIKeyIXTIDUAIOQYHLT-NTEUORMPSA-N
MW394.90 g/mol
LogP3.60
Rot. Bonds5

About 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine

1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine (PubChem CID 8748784) has the molecular formula C19H20ClFN2O2S and a molecular weight of 394.90 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine
PubChem CID8748784
Molecular FormulaC19H20ClFN2O2S
Molecular Weight394.90 g/mol
Exact Mass394.09
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C19H20ClFN2O2S/c20-18-7-4-8-19(21)17(18)15-22-10-12-23(13-11-22)26(24,25)14-9-16-5-2-1-3-6-16/h1-9,14H,10-13,15H2/b14-9+
InChIKeyIXTIDUAIOQYHLT-NTEUORMPSA-N
XLogP3.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 8747347
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine
CID 8746594
1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 8743546
4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile
CID 51178795
1-[(4-fluorophenyl)methyl]-4-[[1-(2-phenylethenylsulfonyl)piperidin-4-yl]methyl]piperazine
CID 73048536
1-[2-(4-chlorophenyl)ethenylsulfonyl]-4-ethylpiperazine
CID 78687053
1-[(2-chloro-6-fluorophenyl)methyl]-4-(4-chloro-2-nitrophenyl)sulfonylpiperazine
CID 55565525
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 8748884
1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol
CID 111105700
2-(4-chlorophenyl)sulfanyl-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone
CID 74285453
1-[(6-methyl-2-pyridinyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-1,4-diazepane
CID 74227072

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine (CID 8748784) is 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine is O=S(=O)(/C=C/c1ccccc1)N1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The InChIKey is IXTIDUAIOQYHLT-NTEUORMPSA-N. The full InChI is InChI=1S/C19H20ClFN2O2S/c20-18-7-4-8-19(21)17(18)15-22-10-12-23(13-11-22)26(24,25)14-9-16-5-2-1-3-6-16/h1-9,14H,10-13,15H2/b14-9+.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine has a molecular weight of 394.90 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine is sourced from PubChem (CID 8748784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).