1-benzylsulfonyl-N'-(4-fluorobenzoyl)piperidine-4-carbohydrazide

C20H22FN3O4S — CID 1444957

IUPAC1-benzylsulfonyl-N'-(4-fluorobenzoyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O4S/c21-18-8-6-16(7-9-18)19(25)22-23-20(26)17-10-12-24(13-11-17)29(27,28)14-15-4-2-1-3-5-15/h1-9,17H,10-14H2,(H,22,25)(H,23,26)
InChIKeyOAHNKPFGUWJOIW-UHFFFAOYSA-N
MW419.48 g/mol
LogP1.83
Rot. Bonds5

About 1-benzylsulfonyl-N'-(4-fluorobenzoyl)piperidine-4-carbohydrazide

1-benzylsulfonyl-N'-(4-fluorobenzoyl)piperidine-4-carbohydrazide (PubChem CID 1444957) has the molecular formula C20H22FN3O4S and a molecular weight of 419.48 g/mol. Its IUPAC name is 1-benzylsulfonyl-N'-(4-fluorobenzoyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-benzylsulfonyl-N'-(4-fluorobenzoyl)piperidine-4-carbohydrazide
PubChem CID1444957
Molecular FormulaC20H22FN3O4S
Molecular Weight419.48 g/mol
Exact Mass419.13
IUPAC Name1-benzylsulfonyl-N'-(4-fluorobenzoyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O4S/c21-18-8-6-16(7-9-18)19(25)22-23-20(26)17-10-12-24(13-11-17)29(27,28)14-15-4-2-1-3-5-15/h1-9,17H,10-14H2,(H,22,25)(H,23,26)
InChIKeyOAHNKPFGUWJOIW-UHFFFAOYSA-N
XLogP1.83
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 51.83
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-benzylsulfonyl-N'-(4-fluorobenzoyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-benzylsulfonyl-N'-(4-fluorobenzoyl)piperidine-4-carbohydrazide (CID 1444957) is 1-benzylsulfonyl-N'-(4-fluorobenzoyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-benzylsulfonyl-N'-(4-fluorobenzoyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-benzylsulfonyl-N'-(4-fluorobenzoyl)piperidine-4-carbohydrazide is O=C(NNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-benzylsulfonyl-N'-(4-fluorobenzoyl)piperidine-4-carbohydrazide?
The InChIKey is OAHNKPFGUWJOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4S/c21-18-8-6-16(7-9-18)19(25)22-23-20(26)17-10-12-24(13-11-17)29(27,28)14-15-4-2-1-3-5-15/h1-9,17H,10-14H2,(H,22,25)(H,23,26).
What are the key properties of 1-benzylsulfonyl-N'-(4-fluorobenzoyl)piperidine-4-carbohydrazide?
1-benzylsulfonyl-N'-(4-fluorobenzoyl)piperidine-4-carbohydrazide has a molecular weight of 419.48 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N'-(4-fluorobenzoyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 1444957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).