N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylthiophene-2-sulfonohydrazide

C11H9ClF3N3O2S2 — CID 1476867

IUPACN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylthiophene-2-sulfonohydrazide
SMILESCN(NS(=O)(=O)c1cccs1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H9ClF3N3O2S2/c1-18(17-22(19,20)9-3-2-4-21-9)10-8(12)5-7(6-16-10)11(13,14)15/h2-6,17H,1H3
InChIKeyVEZGBFYNIUNJLK-UHFFFAOYSA-N
MW371.79 g/mol
LogP3.14
Rot. Bonds4

About N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylthiophene-2-sulfonohydrazide

N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylthiophene-2-sulfonohydrazide (PubChem CID 1476867) has the molecular formula C11H9ClF3N3O2S2 and a molecular weight of 371.79 g/mol. Its IUPAC name is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylthiophene-2-sulfonohydrazide.

Molecular Properties

Compound NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylthiophene-2-sulfonohydrazide
PubChem CID1476867
Molecular FormulaC11H9ClF3N3O2S2
Molecular Weight371.79 g/mol
Exact Mass370.98
IUPAC NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylthiophene-2-sulfonohydrazide
SMILESCN(NS(=O)(=O)c1cccs1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H9ClF3N3O2S2/c1-18(17-22(19,20)9-3-2-4-21-9)10-8(12)5-7(6-16-10)11(13,14)15/h2-6,17H,1H3
InChIKeyVEZGBFYNIUNJLK-UHFFFAOYSA-N
XLogP3.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.79
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylthiophene-2-sulfonohydrazide?
The IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylthiophene-2-sulfonohydrazide (CID 1476867) is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylthiophene-2-sulfonohydrazide.
What is the SMILES notation for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylthiophene-2-sulfonohydrazide?
The canonical SMILES for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylthiophene-2-sulfonohydrazide is CN(NS(=O)(=O)c1cccs1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylthiophene-2-sulfonohydrazide?
The InChIKey is VEZGBFYNIUNJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3O2S2/c1-18(17-22(19,20)9-3-2-4-21-9)10-8(12)5-7(6-16-10)11(13,14)15/h2-6,17H,1H3.
What are the key properties of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylthiophene-2-sulfonohydrazide?
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylthiophene-2-sulfonohydrazide has a molecular weight of 371.79 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylthiophene-2-sulfonohydrazide is sourced from PubChem (CID 1476867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).