2-chloro-5-(trifluoromethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide

C13H8ClF6N3O2S — CID 4856163

IUPAC2-chloro-5-(trifluoromethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
SMILESO=S(=O)(NNc1ccc(C(F)(F)F)cn1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H8ClF6N3O2S/c14-9-3-1-7(12(15,16)17)5-10(9)26(24,25)23-22-11-4-2-8(6-21-11)13(18,19)20/h1-6,23H,(H,21,22)
InChIKeyCNFOIOLNLYARSR-UHFFFAOYSA-N
MW419.73 g/mol
LogP4.08
Rot. Bonds4

About 2-chloro-5-(trifluoromethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide

2-chloro-5-(trifluoromethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide (PubChem CID 4856163) has the molecular formula C13H8ClF6N3O2S and a molecular weight of 419.73 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
PubChem CID4856163
Molecular FormulaC13H8ClF6N3O2S
Molecular Weight419.73 g/mol
Exact Mass418.99
IUPAC Name2-chloro-5-(trifluoromethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
SMILESO=S(=O)(NNc1ccc(C(F)(F)F)cn1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H8ClF6N3O2S/c14-9-3-1-7(12(15,16)17)5-10(9)26(24,25)23-22-11-4-2-8(6-21-11)13(18,19)20/h1-6,23H,(H,21,22)
InChIKeyCNFOIOLNLYARSR-UHFFFAOYSA-N
XLogP4.08
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.73
LogP ≤ 54.08
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 2-chloro-5-(trifluoromethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The IUPAC name of 2-chloro-5-(trifluoromethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide (CID 4856163) is 2-chloro-5-(trifluoromethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide.
What is the SMILES notation for 2-chloro-5-(trifluoromethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The canonical SMILES for 2-chloro-5-(trifluoromethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide is O=S(=O)(NNc1ccc(C(F)(F)F)cn1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-5-(trifluoromethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The InChIKey is CNFOIOLNLYARSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF6N3O2S/c14-9-3-1-7(12(15,16)17)5-10(9)26(24,25)23-22-11-4-2-8(6-21-11)13(18,19)20/h1-6,23H,(H,21,22).
What are the key properties of 2-chloro-5-(trifluoromethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
2-chloro-5-(trifluoromethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide has a molecular weight of 419.73 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(trifluoromethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide is sourced from PubChem (CID 4856163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).