[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone

C16H16FN3O3S — CID 2710694

IUPAC[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H16FN3O3S/c17-14-1-3-15(4-2-14)24(22,23)20-11-9-19(10-12-20)16(21)13-5-7-18-8-6-13/h1-8H,9-12H2
InChIKeyIQNZJPXOPJJVIH-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.37
Rot. Bonds3

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

[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 2710694) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID2710694
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC Name[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H16FN3O3S/c17-14-1-3-15(4-2-14)24(22,23)20-11-9-19(10-12-20)16(21)13-5-7-18-8-6-13/h1-8H,9-12H2
InChIKeyIQNZJPXOPJJVIH-UHFFFAOYSA-N
XLogP1.37
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone (CID 2710694) is [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is IQNZJPXOPJJVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c17-14-1-3-15(4-2-14)24(22,23)20-11-9-19(10-12-20)16(21)13-5-7-18-8-6-13/h1-8H,9-12H2.
What are the key properties of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone?
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 349.39 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 2710694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).