N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide

C13H11F3N2O4S — CID 40664381

IUPACN-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C13H11F3N2O4S/c1-21-12-7-2-9(8-17-12)18-23(19,20)11-5-3-10(4-6-11)22-13(14,15)16/h2-8,18H,1H3
InChIKeyIMWADVUMDLYKQH-UHFFFAOYSA-N
MW348.30 g/mol
LogP2.79
Rot. Bonds5

About N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 40664381) has the molecular formula C13H11F3N2O4S and a molecular weight of 348.30 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID40664381
Molecular FormulaC13H11F3N2O4S
Molecular Weight348.30 g/mol
Exact Mass348.04
IUPAC NameN-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C13H11F3N2O4S/c1-21-12-7-2-9(8-17-12)18-23(19,20)11-5-3-10(4-6-11)22-13(14,15)16/h2-8,18H,1H3
InChIKeyIMWADVUMDLYKQH-UHFFFAOYSA-N
XLogP2.79
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)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-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71799812
N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3863930
6-amino-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 62149708
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 103775697
N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8523422
6-(aminomethyl)-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 114613006
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 2108389
(2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 37309361
4-(cyclopropanecarbonyl)-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 110620835
6-(ethylamino)-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 62150604
N-[4-(6-propoxypyridazin-3-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 41349150

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 40664381) is N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is IMWADVUMDLYKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O4S/c1-21-12-7-2-9(8-17-12)18-23(19,20)11-5-3-10(4-6-11)22-13(14,15)16/h2-8,18H,1H3.
What are the key properties of N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 348.30 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 40664381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).