4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-hydroxybutanamide

C15H21FN2O4S — CID 57392664

IUPAC4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-hydroxybutanamide
SMILESO=C(CCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NO
InChIInChI=1S/C15H21FN2O4S/c16-13-4-6-14(7-5-13)23(21,22)18-10-8-12(9-11-18)2-1-3-15(19)17-20/h4-7,12,20H,1-3,8-11H2,(H,17,19)
InChIKeyBKEWOAILLVKLTN-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.90
Rot. Bonds6

About 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-hydroxybutanamide

4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-hydroxybutanamide (PubChem CID 57392664) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-hydroxybutanamide
PubChem CID57392664
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC Name4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-hydroxybutanamide
SMILESO=C(CCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NO
InChIInChI=1S/C15H21FN2O4S/c16-13-4-6-14(7-5-13)23(21,22)18-10-8-12(9-11-18)2-1-3-15(19)17-20/h4-7,12,20H,1-3,8-11H2,(H,17,19)
InChIKeyBKEWOAILLVKLTN-UHFFFAOYSA-N
XLogP1.90
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-hydroxybutanamide?
The IUPAC name of 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-hydroxybutanamide (CID 57392664) is 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-hydroxybutanamide.
What is the SMILES notation for 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-hydroxybutanamide?
The canonical SMILES for 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-hydroxybutanamide is O=C(CCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NO.
What is the InChIKey of 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-hydroxybutanamide?
The InChIKey is BKEWOAILLVKLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c16-13-4-6-14(7-5-13)23(21,22)18-10-8-12(9-11-18)2-1-3-15(19)17-20/h4-7,12,20H,1-3,8-11H2,(H,17,19).
What are the key properties of 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-hydroxybutanamide?
4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-hydroxybutanamide has a molecular weight of 344.41 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-hydroxybutanamide is sourced from PubChem (CID 57392664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).