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

C8H9ClF3N3O2S — CID 1476490

IUPACN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylmethanesulfonohydrazide
SMILESCN(NS(C)(=O)=O)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H9ClF3N3O2S/c1-15(14-18(2,16)17)7-6(9)3-5(4-13-7)8(10,11)12/h3-4,14H,1-2H3
InChIKeyNJLAWKXFFMAQLJ-UHFFFAOYSA-N
MW303.69 g/mol
LogP1.65
Rot. Bonds3

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

N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylmethanesulfonohydrazide (PubChem CID 1476490) has the molecular formula C8H9ClF3N3O2S and a molecular weight of 303.69 g/mol. Its IUPAC name is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylmethanesulfonohydrazide.

Molecular Properties

Compound NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylmethanesulfonohydrazide
PubChem CID1476490
Molecular FormulaC8H9ClF3N3O2S
Molecular Weight303.69 g/mol
Exact Mass303.01
IUPAC NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylmethanesulfonohydrazide
SMILESCN(NS(C)(=O)=O)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H9ClF3N3O2S/c1-15(14-18(2,16)17)7-6(9)3-5(4-13-7)8(10,11)12/h3-4,14H,1-2H3
InChIKeyNJLAWKXFFMAQLJ-UHFFFAOYSA-N
XLogP1.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.69
LogP ≤ 51.65
H-Bond Donors ≤ 51
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 N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylmethanesulfonohydrazide?
The IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylmethanesulfonohydrazide (CID 1476490) is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylmethanesulfonohydrazide.
What is the SMILES notation for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylmethanesulfonohydrazide?
The canonical SMILES for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylmethanesulfonohydrazide is CN(NS(C)(=O)=O)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylmethanesulfonohydrazide?
The InChIKey is NJLAWKXFFMAQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O2S/c1-15(14-18(2,16)17)7-6(9)3-5(4-13-7)8(10,11)12/h3-4,14H,1-2H3.
What are the key properties of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylmethanesulfonohydrazide?
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylmethanesulfonohydrazide has a molecular weight of 303.69 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylmethanesulfonohydrazide is sourced from PubChem (CID 1476490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).