1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine

C22H19F4N3O3S — CID 68546883

IUPAC1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESO=S(=O)(c1ccc(Oc2ccc(F)cc2)cc1)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C22H19F4N3O3S/c23-16-3-5-17(6-4-16)32-18-7-9-19(10-8-18)33(30,31)29-14-12-28(13-15-29)21-20(22(24,25)26)2-1-11-27-21/h1-11H,12-15H2
InChIKeyVHHGOSRVNMHPPX-UHFFFAOYSA-N
MW481.47 g/mol
LogP4.54
Rot. Bonds5

About 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine

1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 68546883) has the molecular formula C22H19F4N3O3S and a molecular weight of 481.47 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID68546883
Molecular FormulaC22H19F4N3O3S
Molecular Weight481.47 g/mol
Exact Mass481.11
IUPAC Name1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESO=S(=O)(c1ccc(Oc2ccc(F)cc2)cc1)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C22H19F4N3O3S/c23-16-3-5-17(6-4-16)32-18-7-9-19(10-8-18)33(30,31)29-14-12-28(13-15-29)21-20(22(24,25)26)2-1-11-27-21/h1-11H,12-15H2
InChIKeyVHHGOSRVNMHPPX-UHFFFAOYSA-N
XLogP4.54
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.47
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (CID 68546883) is 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is O=S(=O)(c1ccc(Oc2ccc(F)cc2)cc1)N1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is VHHGOSRVNMHPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N3O3S/c23-16-3-5-17(6-4-16)32-18-7-9-19(10-8-18)33(30,31)29-14-12-28(13-15-29)21-20(22(24,25)26)2-1-11-27-21/h1-11H,12-15H2.
What are the key properties of 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 481.47 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 68546883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).