N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methylbenzenesulfonohydrazide

C14H13ClF3N3O3S — CID 1476492

IUPACN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methylbenzenesulfonohydrazide
SMILESCOc1ccc(S(=O)(=O)NN(C)c2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H13ClF3N3O3S/c1-21(13-12(15)7-9(8-19-13)14(16,17)18)20-25(22,23)11-5-3-10(24-2)4-6-11/h3-8,20H,1-2H3
InChIKeyIKHPFBACYMOZSP-UHFFFAOYSA-N
MW395.79 g/mol
LogP3.09
Rot. Bonds5

About N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methylbenzenesulfonohydrazide

N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methylbenzenesulfonohydrazide (PubChem CID 1476492) has the molecular formula C14H13ClF3N3O3S and a molecular weight of 395.79 g/mol. Its IUPAC name is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methylbenzenesulfonohydrazide
PubChem CID1476492
Molecular FormulaC14H13ClF3N3O3S
Molecular Weight395.79 g/mol
Exact Mass395.03
IUPAC NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methylbenzenesulfonohydrazide
SMILESCOc1ccc(S(=O)(=O)NN(C)c2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H13ClF3N3O3S/c1-21(13-12(15)7-9(8-19-13)14(16,17)18)20-25(22,23)11-5-3-10(24-2)4-6-11/h3-8,20H,1-2H3
InChIKeyIKHPFBACYMOZSP-UHFFFAOYSA-N
XLogP3.09
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.79
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methylbenzenesulfonohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484980
4-methoxy-N-(5-methylpyridin-2-yl)benzenesulfonamide
CID 669659
N-(5-chloropyridin-2-yl)-4-methoxybenzenesulfonamide
CID 759583
N-(5-chloro-2-pyridinyl)-3-ethoxy-4-fluorobenzenesulfonamide
CID 850129
N-(5-chloro-2-pyridinyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 935232
N-allyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methylbenzenesulfonohydrazide
CID 1476494
N-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinan-1-ylidene]-4-methoxybenzenesulfonamide
CID 2821309
N-(5-methyl-2-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 5237912
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-methoxybenzenesulfonamide
CID 39660293
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 39660538
N-(5-chloropyridin-2-yl)-4-ethoxybenzene-1-sulfonamide
CID 2920868
Phenyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1-hydrazinecarboxylate
CID 2768335

Frequently Asked Questions

What is the IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methylbenzenesulfonohydrazide?
The IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methylbenzenesulfonohydrazide (CID 1476492) is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methylbenzenesulfonohydrazide.
What is the SMILES notation for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methylbenzenesulfonohydrazide?
The canonical SMILES for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methylbenzenesulfonohydrazide is COc1ccc(S(=O)(=O)NN(C)c2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methylbenzenesulfonohydrazide?
The InChIKey is IKHPFBACYMOZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3O3S/c1-21(13-12(15)7-9(8-19-13)14(16,17)18)20-25(22,23)11-5-3-10(24-2)4-6-11/h3-8,20H,1-2H3.
What are the key properties of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methylbenzenesulfonohydrazide?
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methylbenzenesulfonohydrazide has a molecular weight of 395.79 g/mol, XLogP of 3.09, 5 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]-4-methoxy-N'-methylbenzenesulfonohydrazide is sourced from PubChem (CID 1476492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).