2-hydrazinyl-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide

C11H14F3N3OS — CID 114188316

IUPAC2-hydrazinyl-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCSC(F)(F)F)c(NN)c1
InChIInChI=1S/C11H14F3N3OS/c1-7-2-3-8(9(6-7)17-15)10(18)16-4-5-19-11(12,13)14/h2-3,6,17H,4-5,15H2,1H3,(H,16,18)
InChIKeyVKUOYAIOBNIOIS-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.26
Rot. Bonds5

About 2-hydrazinyl-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide

2-hydrazinyl-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide (PubChem CID 114188316) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is 2-hydrazinyl-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide.

Molecular Properties

Compound Name2-hydrazinyl-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
PubChem CID114188316
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC Name2-hydrazinyl-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCSC(F)(F)F)c(NN)c1
InChIInChI=1S/C11H14F3N3OS/c1-7-2-3-8(9(6-7)17-15)10(18)16-4-5-19-11(12,13)14/h2-3,6,17H,4-5,15H2,1H3,(H,16,18)
InChIKeyVKUOYAIOBNIOIS-UHFFFAOYSA-N
XLogP2.26
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 106432898
N-[2-(dimethylsulfamoyl)ethyl]-2-hydrazinyl-4-methylbenzamide
CID 106340952
2-hydrazinyl-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62509922
N-[(4-ethylphenyl)methyl]-2-hydrazinyl-4-methylbenzamide
CID 106900777
4-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 114188312
2-hydrazinyl-4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80685934
2-hydrazinyl-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106409422
3-(3-aminoprop-1-ynyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 106432496
2-hydrazinyl-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 80686591
5-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide
CID 106432190
5-bromo-2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 113223361
3,5-diamino-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 113228248

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide?
The IUPAC name of 2-hydrazinyl-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide (CID 114188316) is 2-hydrazinyl-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide.
What is the SMILES notation for 2-hydrazinyl-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide?
The canonical SMILES for 2-hydrazinyl-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide is Cc1ccc(C(=O)NCCSC(F)(F)F)c(NN)c1.
What is the InChIKey of 2-hydrazinyl-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide?
The InChIKey is VKUOYAIOBNIOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c1-7-2-3-8(9(6-7)17-15)10(18)16-4-5-19-11(12,13)14/h2-3,6,17H,4-5,15H2,1H3,(H,16,18).
What are the key properties of 2-hydrazinyl-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide?
2-hydrazinyl-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide has a molecular weight of 293.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide is sourced from PubChem (CID 114188316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).