1-[(3-fluorophenyl)methyl]-N'-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide

C19H21F2N3O3S — CID 3748274

IUPAC1-[(3-fluorophenyl)methyl]-N'-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(F)cc1)C1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H21F2N3O3S/c20-16-4-6-18(7-5-16)28(26,27)23-22-19(25)15-8-10-24(11-9-15)13-14-2-1-3-17(21)12-14/h1-7,12,15,23H,8-11,13H2,(H,22,25)
InChIKeyOCYJXRWIKKUDCL-UHFFFAOYSA-N
MW409.46 g/mol
LogP2.19
Rot. Bonds6

About 1-[(3-fluorophenyl)methyl]-N'-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide

1-[(3-fluorophenyl)methyl]-N'-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide (PubChem CID 3748274) has the molecular formula C19H21F2N3O3S and a molecular weight of 409.46 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N'-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N'-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide
PubChem CID3748274
Molecular FormulaC19H21F2N3O3S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC Name1-[(3-fluorophenyl)methyl]-N'-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(F)cc1)C1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H21F2N3O3S/c20-16-4-6-18(7-5-16)28(26,27)23-22-19(25)15-8-10-24(11-9-15)13-14-2-1-3-17(21)12-14/h1-7,12,15,23H,8-11,13H2,(H,22,25)
InChIKeyOCYJXRWIKKUDCL-UHFFFAOYSA-N
XLogP2.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N'-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N'-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide (CID 3748274) is 1-[(3-fluorophenyl)methyl]-N'-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N'-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N'-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide is O=C(NNS(=O)(=O)c1ccc(F)cc1)C1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N'-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide?
The InChIKey is OCYJXRWIKKUDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3S/c20-16-4-6-18(7-5-16)28(26,27)23-22-19(25)15-8-10-24(11-9-15)13-14-2-1-3-17(21)12-14/h1-7,12,15,23H,8-11,13H2,(H,22,25).
What are the key properties of 1-[(3-fluorophenyl)methyl]-N'-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide?
1-[(3-fluorophenyl)methyl]-N'-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide has a molecular weight of 409.46 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N'-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide is sourced from PubChem (CID 3748274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).