1-benzyl-N'-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide

C22H29N3O3S — CID 1481471

IUPAC1-benzyl-N'-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide
SMILESCc1cc(C)c(S(=O)(=O)NNC(=O)C2CCN(Cc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C22H29N3O3S/c1-16-13-17(2)21(18(3)14-16)29(27,28)24-23-22(26)20-9-11-25(12-10-20)15-19-7-5-4-6-8-19/h4-8,13-14,20,24H,9-12,15H2,1-3H3,(H,23,26)
InChIKeySUOMPPQLAHWIBL-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.83
Rot. Bonds6

About 1-benzyl-N'-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide

1-benzyl-N'-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide (PubChem CID 1481471) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 1-benzyl-N'-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide
PubChem CID1481471
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name1-benzyl-N'-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide
SMILESCc1cc(C)c(S(=O)(=O)NNC(=O)C2CCN(Cc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C22H29N3O3S/c1-16-13-17(2)21(18(3)14-16)29(27,28)24-23-22(26)20-9-11-25(12-10-20)15-19-7-5-4-6-8-19/h4-8,13-14,20,24H,9-12,15H2,1-3H3,(H,23,26)
InChIKeySUOMPPQLAHWIBL-UHFFFAOYSA-N
XLogP2.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.83
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-benzyl-N'-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide?
The IUPAC name of 1-benzyl-N'-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide (CID 1481471) is 1-benzyl-N'-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide is Cc1cc(C)c(S(=O)(=O)NNC(=O)C2CCN(Cc3ccccc3)CC2)c(C)c1.
What is the InChIKey of 1-benzyl-N'-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide?
The InChIKey is SUOMPPQLAHWIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-16-13-17(2)21(18(3)14-16)29(27,28)24-23-22(26)20-9-11-25(12-10-20)15-19-7-5-4-6-8-19/h4-8,13-14,20,24H,9-12,15H2,1-3H3,(H,23,26).
What are the key properties of 1-benzyl-N'-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide?
1-benzyl-N'-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide has a molecular weight of 415.56 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide is sourced from PubChem (CID 1481471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).