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

C14H13ClF3N3O2S — CID 8523482

IUPACN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,5-dimethylbenzenesulfonohydrazide
SMILESCc1ccc(C)c(S(=O)(=O)NNc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H13ClF3N3O2S/c1-8-3-4-9(2)12(5-8)24(22,23)21-20-13-11(15)6-10(7-19-13)14(16,17)18/h3-7,21H,1-2H3,(H,19,20)
InChIKeyAFSHHTRNHWSOCM-UHFFFAOYSA-N
MW379.79 g/mol
LogP3.68
Rot. Bonds4

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

N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,5-dimethylbenzenesulfonohydrazide (PubChem CID 8523482) has the molecular formula C14H13ClF3N3O2S and a molecular weight of 379.79 g/mol. Its IUPAC name is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,5-dimethylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,5-dimethylbenzenesulfonohydrazide
PubChem CID8523482
Molecular FormulaC14H13ClF3N3O2S
Molecular Weight379.79 g/mol
Exact Mass379.04
IUPAC NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,5-dimethylbenzenesulfonohydrazide
SMILESCc1ccc(C)c(S(=O)(=O)NNc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H13ClF3N3O2S/c1-8-3-4-9(2)12(5-8)24(22,23)21-20-13-11(15)6-10(7-19-13)14(16,17)18/h3-7,21H,1-2H3,(H,19,20)
InChIKeyAFSHHTRNHWSOCM-UHFFFAOYSA-N
XLogP3.68
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.79
LogP ≤ 53.68
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

5-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-sulfonohydrazide
CID 1476252
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide
CID 3847361
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]formamide
CID 70973027
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-4-fluorobenzenesulfonamide
CID 3710970
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 2337124
N'-(2,5-dichlorophenyl)sulfonyl-2,5-dimethylbenzenesulfonohydrazide
CID 8523597
3-chloro-2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyridine
CID 86192063
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2,6-difluorobenzenesulfonamide
CID 35405703
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26530235
3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
CID 2401865

Frequently Asked Questions

What is the IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,5-dimethylbenzenesulfonohydrazide?
The IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,5-dimethylbenzenesulfonohydrazide (CID 8523482) is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,5-dimethylbenzenesulfonohydrazide.
What is the SMILES notation for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,5-dimethylbenzenesulfonohydrazide?
The canonical SMILES for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,5-dimethylbenzenesulfonohydrazide is Cc1ccc(C)c(S(=O)(=O)NNc2ncc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,5-dimethylbenzenesulfonohydrazide?
The InChIKey is AFSHHTRNHWSOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3O2S/c1-8-3-4-9(2)12(5-8)24(22,23)21-20-13-11(15)6-10(7-19-13)14(16,17)18/h3-7,21H,1-2H3,(H,19,20).
What are the key properties of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,5-dimethylbenzenesulfonohydrazide?
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,5-dimethylbenzenesulfonohydrazide has a molecular weight of 379.79 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,5-dimethylbenzenesulfonohydrazide is sourced from PubChem (CID 8523482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).