2-benzyl-3-[2-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxypropanamide

C21H25FN2O4S — CID 86588788

IUPAC2-benzyl-3-[2-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxypropanamide
SMILESO=C(NO)C(Cc1ccccc1)CS(=O)(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O4S/c22-19-11-9-17(10-12-19)20-8-4-5-13-24(20)29(27,28)15-18(21(25)23-26)14-16-6-2-1-3-7-16/h1-3,6-7,9-12,18,20,26H,4-5,8,13-15H2,(H,23,25)
InChIKeyWRPCQCYXDDCHKR-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.05
Rot. Bonds7

About 2-benzyl-3-[2-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxypropanamide

2-benzyl-3-[2-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxypropanamide (PubChem CID 86588788) has the molecular formula C21H25FN2O4S and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-benzyl-3-[2-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxypropanamide.

Molecular Properties

Compound Name2-benzyl-3-[2-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxypropanamide
PubChem CID86588788
Molecular FormulaC21H25FN2O4S
Molecular Weight420.51 g/mol
Exact Mass420.15
IUPAC Name2-benzyl-3-[2-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxypropanamide
SMILESO=C(NO)C(Cc1ccccc1)CS(=O)(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O4S/c22-19-11-9-17(10-12-19)20-8-4-5-13-24(20)29(27,28)15-18(21(25)23-26)14-16-6-2-1-3-7-16/h1-3,6-7,9-12,18,20,26H,4-5,8,13-15H2,(H,23,25)
InChIKeyWRPCQCYXDDCHKR-UHFFFAOYSA-N
XLogP3.05
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.05
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 2-benzyl-3-[2-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxypropanamide?
The IUPAC name of 2-benzyl-3-[2-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxypropanamide (CID 86588788) is 2-benzyl-3-[2-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxypropanamide.
What is the SMILES notation for 2-benzyl-3-[2-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxypropanamide?
The canonical SMILES for 2-benzyl-3-[2-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxypropanamide is O=C(NO)C(Cc1ccccc1)CS(=O)(=O)N1CCCCC1c1ccc(F)cc1.
What is the InChIKey of 2-benzyl-3-[2-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxypropanamide?
The InChIKey is WRPCQCYXDDCHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4S/c22-19-11-9-17(10-12-19)20-8-4-5-13-24(20)29(27,28)15-18(21(25)23-26)14-16-6-2-1-3-7-16/h1-3,6-7,9-12,18,20,26H,4-5,8,13-15H2,(H,23,25).
What are the key properties of 2-benzyl-3-[2-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxypropanamide?
2-benzyl-3-[2-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxypropanamide has a molecular weight of 420.51 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[2-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxypropanamide is sourced from PubChem (CID 86588788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).