N-[(4-cyanophenyl)methyl]-N'-naphthalen-2-ylsulfonylpiperidine-1-carbohydrazide

C24H24N4O3S — CID 11037691

IUPACN-[(4-cyanophenyl)methyl]-N'-naphthalen-2-ylsulfonylpiperidine-1-carbohydrazide
SMILESN#Cc1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H24N4O3S/c25-17-19-8-10-20(11-9-19)18-28(24(29)27-14-4-1-5-15-27)26-32(30,31)23-13-12-21-6-2-3-7-22(21)16-23/h2-3,6-13,16,26H,1,4-5,14-15,18H2
InChIKeyMPXFLANQBGNJBX-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.01
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-N'-naphthalen-2-ylsulfonylpiperidine-1-carbohydrazide

N-[(4-cyanophenyl)methyl]-N'-naphthalen-2-ylsulfonylpiperidine-1-carbohydrazide (PubChem CID 11037691) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N'-naphthalen-2-ylsulfonylpiperidine-1-carbohydrazide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N'-naphthalen-2-ylsulfonylpiperidine-1-carbohydrazide
PubChem CID11037691
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC NameN-[(4-cyanophenyl)methyl]-N'-naphthalen-2-ylsulfonylpiperidine-1-carbohydrazide
SMILESN#Cc1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H24N4O3S/c25-17-19-8-10-20(11-9-19)18-28(24(29)27-14-4-1-5-15-27)26-32(30,31)23-13-12-21-6-2-3-7-22(21)16-23/h2-3,6-13,16,26H,1,4-5,14-15,18H2
InChIKeyMPXFLANQBGNJBX-UHFFFAOYSA-N
XLogP4.01
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.01
H-Bond Donors ≤ 51
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-[(4-cyanophenyl)methyl]-N'-naphthalen-2-ylsulfonylpiperidine-1-carbohydrazide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N'-naphthalen-2-ylsulfonylpiperidine-1-carbohydrazide (CID 11037691) is N-[(4-cyanophenyl)methyl]-N'-naphthalen-2-ylsulfonylpiperidine-1-carbohydrazide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N'-naphthalen-2-ylsulfonylpiperidine-1-carbohydrazide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N'-naphthalen-2-ylsulfonylpiperidine-1-carbohydrazide is N#Cc1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N'-naphthalen-2-ylsulfonylpiperidine-1-carbohydrazide?
The InChIKey is MPXFLANQBGNJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c25-17-19-8-10-20(11-9-19)18-28(24(29)27-14-4-1-5-15-27)26-32(30,31)23-13-12-21-6-2-3-7-22(21)16-23/h2-3,6-13,16,26H,1,4-5,14-15,18H2.
What are the key properties of N-[(4-cyanophenyl)methyl]-N'-naphthalen-2-ylsulfonylpiperidine-1-carbohydrazide?
N-[(4-cyanophenyl)methyl]-N'-naphthalen-2-ylsulfonylpiperidine-1-carbohydrazide has a molecular weight of 448.55 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N'-naphthalen-2-ylsulfonylpiperidine-1-carbohydrazide is sourced from PubChem (CID 11037691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).