(E)-2-(4-chlorophenyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide

C14H11ClF3N3O2S — CID 8505649

IUPAC(E)-2-(4-chlorophenyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)NNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H11ClF3N3O2S/c15-12-4-1-10(2-5-12)7-8-24(22,23)21-20-13-6-3-11(9-19-13)14(16,17)18/h1-9,21H,(H,19,20)/b8-7+
InChIKeyBQWQCYDGQWWAKX-BQYQJAHWSA-N
MW377.78 g/mol
LogP3.67
Rot. Bonds5

About (E)-2-(4-chlorophenyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide

(E)-2-(4-chlorophenyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide (PubChem CID 8505649) has the molecular formula C14H11ClF3N3O2S and a molecular weight of 377.78 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide
PubChem CID8505649
Molecular FormulaC14H11ClF3N3O2S
Molecular Weight377.78 g/mol
Exact Mass377.02
IUPAC Name(E)-2-(4-chlorophenyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)NNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H11ClF3N3O2S/c15-12-4-1-10(2-5-12)7-8-24(22,23)21-20-13-6-3-11(9-19-13)14(16,17)18/h1-9,21H,(H,19,20)/b8-7+
InChIKeyBQWQCYDGQWWAKX-BQYQJAHWSA-N
XLogP3.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 53.67
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

4-tert-butyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
CID 8505628
3,5-dichloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
CID 44586063
(E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide
CID 32940502
2-bromo-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
CID 8505642
3,5-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-4-sulfonohydrazide
CID 52988857
1-(4-chlorophenyl)sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 67043751
N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylacetohydrazide
CID 8500743
2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetate
CID 151382007
2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetic acid
CID 151382008
(Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide
CID 99918665
1-chloro-4-[(E)-3-[(E)-3-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]sulfonyl-3-[4-(trifluoromethyl)phenyl]prop-1-enyl]benzene
CID 87210953
[5-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 1477642

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide (CID 8505649) is (E)-2-(4-chlorophenyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide is O=S(=O)(/C=C/c1ccc(Cl)cc1)NNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide?
The InChIKey is BQWQCYDGQWWAKX-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H11ClF3N3O2S/c15-12-4-1-10(2-5-12)7-8-24(22,23)21-20-13-6-3-11(9-19-13)14(16,17)18/h1-9,21H,(H,19,20)/b8-7+.
What are the key properties of (E)-2-(4-chlorophenyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide?
(E)-2-(4-chlorophenyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide has a molecular weight of 377.78 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide is sourced from PubChem (CID 8505649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).