N-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide

C13H11F3N2O3S — CID 134137036

IUPACN-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cncc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2O3S/c1-21-10-6-9(7-17-8-10)18-22(19,20)12-5-3-2-4-11(12)13(14,15)16/h2-8,18H,1H3
InChIKeyPGYBAGUASUJCNF-UHFFFAOYSA-N
MW332.30 g/mol
LogP2.91
Rot. Bonds4

About N-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide

N-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 134137036) has the molecular formula C13H11F3N2O3S and a molecular weight of 332.30 g/mol. Its IUPAC name is N-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID134137036
Molecular FormulaC13H11F3N2O3S
Molecular Weight332.30 g/mol
Exact Mass332.04
IUPAC NameN-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cncc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2O3S/c1-21-10-6-9(7-17-8-10)18-22(19,20)12-5-3-2-4-11(12)13(14,15)16/h2-8,18H,1H3
InChIKeyPGYBAGUASUJCNF-UHFFFAOYSA-N
XLogP2.91
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide 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

N-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 26979627
N-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 60597504
N-ethyl-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-propylbenzamide
CID 58924348
N-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924121
2-(3,3-dimethylpiperidine-1-carbonyl)-N-(5-methoxy-3-pyridinyl)benzenesulfonamide
CID 58924081
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-(2-methylbutyl)benzamide
CID 58924307
N-(2-hydroxyethyl)-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 58924202
N-[(2,3-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924343
N-[2-(2,5-difluorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924145
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-methyl-N-(2-phenoxyethyl)benzamide
CID 58924319
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 58924134
4-chloro-N-(3,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 26970163

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide (CID 134137036) is N-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide is COc1cncc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PGYBAGUASUJCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3S/c1-21-10-6-9(7-17-8-10)18-22(19,20)12-5-3-2-4-11(12)13(14,15)16/h2-8,18H,1H3.
What are the key properties of N-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide?
N-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 332.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 134137036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).