1-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenyl]-4-methylpiperazine

C24H23F2N3O2S — CID 68536464

IUPAC1-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccccc2S(=O)(=O)c2ccc(C=Cc3ccc(F)cc3F)nc2)CC1
InChIInChI=1S/C24H23F2N3O2S/c1-28-12-14-29(15-13-28)23-4-2-3-5-24(23)32(30,31)21-11-10-20(27-17-21)9-7-18-6-8-19(25)16-22(18)26/h2-11,16-17H,12-15H2,1H3
InChIKeyGFMSRADKUKFGNV-UHFFFAOYSA-N
MW455.53 g/mol
LogP4.11
Rot. Bonds5

About 1-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenyl]-4-methylpiperazine

1-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenyl]-4-methylpiperazine (PubChem CID 68536464) has the molecular formula C24H23F2N3O2S and a molecular weight of 455.53 g/mol. Its IUPAC name is 1-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenyl]-4-methylpiperazine
PubChem CID68536464
Molecular FormulaC24H23F2N3O2S
Molecular Weight455.53 g/mol
Exact Mass455.15
IUPAC Name1-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccccc2S(=O)(=O)c2ccc(C=Cc3ccc(F)cc3F)nc2)CC1
InChIInChI=1S/C24H23F2N3O2S/c1-28-12-14-29(15-13-28)23-4-2-3-5-24(23)32(30,31)21-11-10-20(27-17-21)9-7-18-6-8-19(25)16-22(18)26/h2-11,16-17H,12-15H2,1H3
InChIKeyGFMSRADKUKFGNV-UHFFFAOYSA-N
XLogP4.11
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine
CID 68530611
5-(3-bromophenyl)sulfonyl-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine
CID 21099466
6-fluoro-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylquinoline
CID 18590830
4-(3-fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline
CID 71587769
2-[(E)-2-(2,4-difluorophenyl)ethenyl]-6-(2-fluorophenyl)sulfonylpyridine
CID 11494537
2-[2-[4-[2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylphenyl]propan-2-ol
CID 68530629
2-[2-[4-[(E)-2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylphenyl]propan-2-ol;2-[2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]propan-2-ol
CID 68535883
2-[4-[2-(2,4-difluorophenyl)ethenyl]-3-methylphenyl]sulfonylbenzamide
CID 68532855
6-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylquinoline
CID 67959181
2-[4-[(E)-2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylbenzamide
CID 21099433
2-[2-[4-[2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylphenyl]-5-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]hexane-2,5-diol
CID 68535884
2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)aniline
CID 10269278

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenyl]-4-methylpiperazine (CID 68536464) is 1-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenyl]-4-methylpiperazine is CN1CCN(c2ccccc2S(=O)(=O)c2ccc(C=Cc3ccc(F)cc3F)nc2)CC1.
What is the InChIKey of 1-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenyl]-4-methylpiperazine?
The InChIKey is GFMSRADKUKFGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O2S/c1-28-12-14-29(15-13-28)23-4-2-3-5-24(23)32(30,31)21-11-10-20(27-17-21)9-7-18-6-8-19(25)16-22(18)26/h2-11,16-17H,12-15H2,1H3.
What are the key properties of 1-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenyl]-4-methylpiperazine?
1-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenyl]-4-methylpiperazine has a molecular weight of 455.53 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenyl]-4-methylpiperazine is sourced from PubChem (CID 68536464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).