2-methyl-5-piperidin-1-ylsulfonyl-N'-[3-(trifluoromethyl)phenyl]benzohydrazide

C20H22F3N3O3S — CID 55343487

IUPAC2-methyl-5-piperidin-1-ylsulfonyl-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3N3O3S/c1-14-8-9-17(30(28,29)26-10-3-2-4-11-26)13-18(14)19(27)25-24-16-7-5-6-15(12-16)20(21,22)23/h5-9,12-13,24H,2-4,10-11H2,1H3,(H,25,27)
InChIKeyUFEWORGUXOTXLP-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.95
Rot. Bonds5

About 2-methyl-5-piperidin-1-ylsulfonyl-N'-[3-(trifluoromethyl)phenyl]benzohydrazide

2-methyl-5-piperidin-1-ylsulfonyl-N'-[3-(trifluoromethyl)phenyl]benzohydrazide (PubChem CID 55343487) has the molecular formula C20H22F3N3O3S and a molecular weight of 441.48 g/mol. Its IUPAC name is 2-methyl-5-piperidin-1-ylsulfonyl-N'-[3-(trifluoromethyl)phenyl]benzohydrazide.

Molecular Properties

Compound Name2-methyl-5-piperidin-1-ylsulfonyl-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
PubChem CID55343487
Molecular FormulaC20H22F3N3O3S
Molecular Weight441.48 g/mol
Exact Mass441.13
IUPAC Name2-methyl-5-piperidin-1-ylsulfonyl-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3N3O3S/c1-14-8-9-17(30(28,29)26-10-3-2-4-11-26)13-18(14)19(27)25-24-16-7-5-6-15(12-16)20(21,22)23/h5-9,12-13,24H,2-4,10-11H2,1H3,(H,25,27)
InChIKeyUFEWORGUXOTXLP-UHFFFAOYSA-N
XLogP3.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.95
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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Related Compounds

2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087816
4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4798285
N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 29176549
N-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 27906905
N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26696294
5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 6473087
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
2-methyl-5-piperidin-1-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide
CID 2344795
N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26538419
N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26638354
2-methyl-5-piperidin-1-ylsulfonyl-N-prop-2-ynylbenzamide
CID 7997753
N-[(3-fluorophenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 53281764

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-1-ylsulfonyl-N'-[3-(trifluoromethyl)phenyl]benzohydrazide?
The IUPAC name of 2-methyl-5-piperidin-1-ylsulfonyl-N'-[3-(trifluoromethyl)phenyl]benzohydrazide (CID 55343487) is 2-methyl-5-piperidin-1-ylsulfonyl-N'-[3-(trifluoromethyl)phenyl]benzohydrazide.
What is the SMILES notation for 2-methyl-5-piperidin-1-ylsulfonyl-N'-[3-(trifluoromethyl)phenyl]benzohydrazide?
The canonical SMILES for 2-methyl-5-piperidin-1-ylsulfonyl-N'-[3-(trifluoromethyl)phenyl]benzohydrazide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-5-piperidin-1-ylsulfonyl-N'-[3-(trifluoromethyl)phenyl]benzohydrazide?
The InChIKey is UFEWORGUXOTXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3S/c1-14-8-9-17(30(28,29)26-10-3-2-4-11-26)13-18(14)19(27)25-24-16-7-5-6-15(12-16)20(21,22)23/h5-9,12-13,24H,2-4,10-11H2,1H3,(H,25,27).
What are the key properties of 2-methyl-5-piperidin-1-ylsulfonyl-N'-[3-(trifluoromethyl)phenyl]benzohydrazide?
2-methyl-5-piperidin-1-ylsulfonyl-N'-[3-(trifluoromethyl)phenyl]benzohydrazide has a molecular weight of 441.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-1-ylsulfonyl-N'-[3-(trifluoromethyl)phenyl]benzohydrazide is sourced from PubChem (CID 55343487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).