[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

C20H24FN5O3S — CID 18432762

IUPAC[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN5O3S/c21-17-1-3-19(4-2-17)30(28,29)26-15-13-25(14-16-26)20(27)24-11-9-23(10-12-24)18-5-7-22-8-6-18/h1-8H,9-16H2
InChIKeyTXBSOGFSXKIGJY-UHFFFAOYSA-N
MW433.51 g/mol
LogP1.47
Rot. Bonds3

About [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 18432762) has the molecular formula C20H24FN5O3S and a molecular weight of 433.51 g/mol. Its IUPAC name is [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID18432762
Molecular FormulaC20H24FN5O3S
Molecular Weight433.51 g/mol
Exact Mass433.16
IUPAC Name[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN5O3S/c21-17-1-3-19(4-2-17)30(28,29)26-15-13-25(14-16-26)20(27)24-11-9-23(10-12-24)18-5-7-22-8-6-18/h1-8H,9-16H2
InChIKeyTXBSOGFSXKIGJY-UHFFFAOYSA-N
XLogP1.47
TPSA77.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 18432762) is [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is O=C(N1CCN(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is TXBSOGFSXKIGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O3S/c21-17-1-3-19(4-2-17)30(28,29)26-15-13-25(14-16-26)20(27)24-11-9-23(10-12-24)18-5-7-22-8-6-18/h1-8H,9-16H2.
What are the key properties of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 433.51 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 18432762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).