N'-[3-(trifluoromethyl)phenyl]sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide

C15H11F6N3O5S2 — CID 2800707

IUPACN'-[3-(trifluoromethyl)phenyl]sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide
SMILESO=C(CS(=O)(=O)c1ccc(C(F)(F)F)cn1)NNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F6N3O5S2/c16-14(17,18)9-2-1-3-11(6-9)31(28,29)24-23-12(25)8-30(26,27)13-5-4-10(7-22-13)15(19,20)21/h1-7,24H,8H2,(H,23,25)
InChIKeyJEIDQESXAHLDPH-UHFFFAOYSA-N
MW491.39 g/mol
LogP1.90
Rot. Bonds6

About N'-[3-(trifluoromethyl)phenyl]sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide

N'-[3-(trifluoromethyl)phenyl]sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide (PubChem CID 2800707) has the molecular formula C15H11F6N3O5S2 and a molecular weight of 491.39 g/mol. Its IUPAC name is N'-[3-(trifluoromethyl)phenyl]sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide.

Molecular Properties

Compound NameN'-[3-(trifluoromethyl)phenyl]sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide
PubChem CID2800707
Molecular FormulaC15H11F6N3O5S2
Molecular Weight491.39 g/mol
Exact Mass491.00
IUPAC NameN'-[3-(trifluoromethyl)phenyl]sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide
SMILESO=C(CS(=O)(=O)c1ccc(C(F)(F)F)cn1)NNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F6N3O5S2/c16-14(17,18)9-2-1-3-11(6-9)31(28,29)24-23-12(25)8-30(26,27)13-5-4-10(7-22-13)15(19,20)21/h1-7,24H,8H2,(H,23,25)
InChIKeyJEIDQESXAHLDPH-UHFFFAOYSA-N
XLogP1.90
TPSA122.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[3-(trifluoromethyl)phenyl]sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[3-(trifluoromethyl)phenyl]sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide?
The IUPAC name of N'-[3-(trifluoromethyl)phenyl]sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide (CID 2800707) is N'-[3-(trifluoromethyl)phenyl]sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide.
What is the SMILES notation for N'-[3-(trifluoromethyl)phenyl]sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide?
The canonical SMILES for N'-[3-(trifluoromethyl)phenyl]sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide is O=C(CS(=O)(=O)c1ccc(C(F)(F)F)cn1)NNS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-[3-(trifluoromethyl)phenyl]sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide?
The InChIKey is JEIDQESXAHLDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N3O5S2/c16-14(17,18)9-2-1-3-11(6-9)31(28,29)24-23-12(25)8-30(26,27)13-5-4-10(7-22-13)15(19,20)21/h1-7,24H,8H2,(H,23,25).
What are the key properties of N'-[3-(trifluoromethyl)phenyl]sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide?
N'-[3-(trifluoromethyl)phenyl]sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide has a molecular weight of 491.39 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(trifluoromethyl)phenyl]sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide is sourced from PubChem (CID 2800707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).