[1-(benzenesulfonyl)piperidin-4-yl]-(4-fluorophenyl)methanone

C18H18FNO3S — CID 1438176

IUPAC[1-(benzenesulfonyl)piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H18FNO3S/c19-16-8-6-14(7-9-16)18(21)15-10-12-20(13-11-15)24(22,23)17-4-2-1-3-5-17/h1-9,15H,10-13H2
InChIKeyOFZLTCNXDUXSII-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.11
Rot. Bonds4

About [1-(benzenesulfonyl)piperidin-4-yl]-(4-fluorophenyl)methanone

[1-(benzenesulfonyl)piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 1438176) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID1438176
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC Name[1-(benzenesulfonyl)piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H18FNO3S/c19-16-8-6-14(7-9-16)18(21)15-10-12-20(13-11-15)24(22,23)17-4-2-1-3-5-17/h1-9,15H,10-13H2
InChIKeyOFZLTCNXDUXSII-UHFFFAOYSA-N
XLogP3.11
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-(4-fluorophenyl)methanone (CID 1438176) is [1-(benzenesulfonyl)piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-4-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is OFZLTCNXDUXSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3S/c19-16-8-6-14(7-9-16)18(21)15-10-12-20(13-11-15)24(22,23)17-4-2-1-3-5-17/h1-9,15H,10-13H2.
What are the key properties of [1-(benzenesulfonyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-(benzenesulfonyl)piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 347.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 1438176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).