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

C20H23N3O4S — CID 1472585

IUPACN'-benzoyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3O4S/c1-15-7-9-18(10-8-15)28(26,27)23-13-11-17(12-14-23)20(25)22-21-19(24)16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyYYVYIYUPUROCJW-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.86
Rot. Bonds4

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

N'-benzoyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide (PubChem CID 1472585) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N'-benzoyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide
PubChem CID1472585
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN'-benzoyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3O4S/c1-15-7-9-18(10-8-15)28(26,27)23-13-11-17(12-14-23)20(25)22-21-19(24)16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyYYVYIYUPUROCJW-UHFFFAOYSA-N
XLogP1.86
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.86
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 N'-benzoyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide?
The IUPAC name of N'-benzoyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide (CID 1472585) is N'-benzoyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide.
What is the SMILES notation for N'-benzoyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide?
The canonical SMILES for N'-benzoyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N'-benzoyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide?
The InChIKey is YYVYIYUPUROCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-15-7-9-18(10-8-15)28(26,27)23-13-11-17(12-14-23)20(25)22-21-19(24)16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-benzoyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide?
N'-benzoyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide has a molecular weight of 401.49 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide is sourced from PubChem (CID 1472585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).