N'-methylsulfonyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzohydrazide

C17H17F3N2O3S — CID 68700364

IUPACN'-methylsulfonyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzohydrazide
SMILESCS(=O)(=O)NN(CCc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1
InChIInChI=1S/C17H17F3N2O3S/c1-26(24,25)21-22(16(23)14-7-3-2-4-8-14)11-10-13-6-5-9-15(12-13)17(18,19)20/h2-9,12,21H,10-11H2,1H3
InChIKeyDYNGCNQQNWDUCI-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.85
Rot. Bonds6

About N'-methylsulfonyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzohydrazide

N'-methylsulfonyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzohydrazide (PubChem CID 68700364) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is N'-methylsulfonyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzohydrazide.

Molecular Properties

Compound NameN'-methylsulfonyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzohydrazide
PubChem CID68700364
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC NameN'-methylsulfonyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzohydrazide
SMILESCS(=O)(=O)NN(CCc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1
InChIInChI=1S/C17H17F3N2O3S/c1-26(24,25)21-22(16(23)14-7-3-2-4-8-14)11-10-13-6-5-9-15(12-13)17(18,19)20/h2-9,12,21H,10-11H2,1H3
InChIKeyDYNGCNQQNWDUCI-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-methylsulfonyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzohydrazide?
The IUPAC name of N'-methylsulfonyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzohydrazide (CID 68700364) is N'-methylsulfonyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzohydrazide.
What is the SMILES notation for N'-methylsulfonyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzohydrazide?
The canonical SMILES for N'-methylsulfonyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzohydrazide is CS(=O)(=O)NN(CCc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1.
What is the InChIKey of N'-methylsulfonyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzohydrazide?
The InChIKey is DYNGCNQQNWDUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-26(24,25)21-22(16(23)14-7-3-2-4-8-14)11-10-13-6-5-9-15(12-13)17(18,19)20/h2-9,12,21H,10-11H2,1H3.
What are the key properties of N'-methylsulfonyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzohydrazide?
N'-methylsulfonyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzohydrazide has a molecular weight of 386.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylsulfonyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzohydrazide is sourced from PubChem (CID 68700364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).