1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine

C20H23FN2O3S — CID 6501571

IUPAC1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1F
InChIInChI=1S/C20H23FN2O3S/c1-26-20-10-9-18(16-19(20)21)27(24,25)23-14-12-22(13-15-23)11-5-8-17-6-3-2-4-7-17/h2-10,16H,11-15H2,1H3/b8-5+
InChIKeySRMKGWAKRLZZPX-VMPITWQZSA-N
MW390.48 g/mol
LogP2.85
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine

1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 6501571) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID6501571
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1F
InChIInChI=1S/C20H23FN2O3S/c1-26-20-10-9-18(16-19(20)21)27(24,25)23-14-12-22(13-15-23)11-5-8-17-6-3-2-4-7-17/h2-10,16H,11-15H2,1H3/b8-5+
InChIKeySRMKGWAKRLZZPX-VMPITWQZSA-N
XLogP2.85
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 6501571) is 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine is COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is SRMKGWAKRLZZPX-VMPITWQZSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-26-20-10-9-18(16-19(20)21)27(24,25)23-14-12-22(13-15-23)11-5-8-17-6-3-2-4-7-17/h2-10,16H,11-15H2,1H3/b8-5+.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 390.48 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 6501571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).