1-benzyl-N'-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide

C20H25N3O3S — CID 3794344

IUPAC1-benzyl-N'-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-16-7-9-19(10-8-16)27(25,26)22-21-20(24)18-11-13-23(14-12-18)15-17-5-3-2-4-6-17/h2-10,18,22H,11-15H2,1H3,(H,21,24)
InChIKeyHGOQFZCYIGSTNT-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.22
Rot. Bonds6

About 1-benzyl-N'-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide

1-benzyl-N'-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide (PubChem CID 3794344) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-benzyl-N'-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide
PubChem CID3794344
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name1-benzyl-N'-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-16-7-9-19(10-8-16)27(25,26)22-21-20(24)18-11-13-23(14-12-18)15-17-5-3-2-4-6-17/h2-10,18,22H,11-15H2,1H3,(H,21,24)
InChIKeyHGOQFZCYIGSTNT-UHFFFAOYSA-N
XLogP2.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-benzyl-N'-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide?
The IUPAC name of 1-benzyl-N'-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide (CID 3794344) is 1-benzyl-N'-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-N'-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide?
The InChIKey is HGOQFZCYIGSTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-16-7-9-19(10-8-16)27(25,26)22-21-20(24)18-11-13-23(14-12-18)15-17-5-3-2-4-6-17/h2-10,18,22H,11-15H2,1H3,(H,21,24).
What are the key properties of 1-benzyl-N'-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide?
1-benzyl-N'-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide has a molecular weight of 387.51 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide is sourced from PubChem (CID 3794344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).