N-(6-bromo-5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]methanesulfonamide

C13H11BrF3N3O2S — CID 169220862

IUPACN-(6-bromo-5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2cc(C(F)(F)F)ccn2)nc1Br
InChIInChI=1S/C13H11BrF3N3O2S/c1-8-2-3-11(19-12(8)14)20-23(21,22)7-10-6-9(4-5-18-10)13(15,16)17/h2-6H,7H2,1H3,(H,19,20)
InChIKeyMNXUFLNFLXGUGY-UHFFFAOYSA-N
MW410.22 g/mol
LogP3.51
Rot. Bonds4

About N-(6-bromo-5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]methanesulfonamide

N-(6-bromo-5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]methanesulfonamide (PubChem CID 169220862) has the molecular formula C13H11BrF3N3O2S and a molecular weight of 410.22 g/mol. Its IUPAC name is N-(6-bromo-5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]methanesulfonamide
PubChem CID169220862
Molecular FormulaC13H11BrF3N3O2S
Molecular Weight410.22 g/mol
Exact Mass408.97
IUPAC NameN-(6-bromo-5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2cc(C(F)(F)F)ccn2)nc1Br
InChIInChI=1S/C13H11BrF3N3O2S/c1-8-2-3-11(19-12(8)14)20-23(21,22)7-10-6-9(4-5-18-10)13(15,16)17/h2-6H,7H2,1H3,(H,19,20)
InChIKeyMNXUFLNFLXGUGY-UHFFFAOYSA-N
XLogP3.51
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.22
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(6-bromo-5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]methanesulfonamide 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-(4-methylpyridin-2-yl)-1-phenylmethanesulfonamide
CID 743631
5-Methylsulfonyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
CID 137653222
N-(5-Bromo-pyridin-2-yl)-4-ethyl-benzenesulfonamide
CID 766689
N-(5-bromo-2-pyridinyl)-1-phenylmethanesulfonamide
CID 878873
4-bromo-N-(5-methylpyridin-2-yl)benzenesulfonamide
CID 669661
N-(5-methylpyridin-2-yl)-1-phenylmethanesulfonamide
CID 759581
N-(5-bromopyridin-2-yl)ethanesulfonamide
CID 726086
2-amino-5-bromo-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 6623803
4-amino-N-(5-bromo-3-methylpyridin-2-yl)benzene-1-sulfonamide
CID 23275287
5-bromo-N-((6-(trifluoromethyl)pyridin-3-yl)methyl)pyridin-2-amine
CID 57963232
N-(5-bromopyridin-2-yl)-4-methylbenzenesulfonamide
CID 673877
N-[6-(Trifluoromethyl)pyridin-2-YL]pyridine-3-sulfonamide
CID 72011761

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-(6-bromo-5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]methanesulfonamide (CID 169220862) is N-(6-bromo-5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-(6-bromo-5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-(6-bromo-5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]methanesulfonamide is Cc1ccc(NS(=O)(=O)Cc2cc(C(F)(F)F)ccn2)nc1Br.
What is the InChIKey of N-(6-bromo-5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]methanesulfonamide?
The InChIKey is MNXUFLNFLXGUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3N3O2S/c1-8-2-3-11(19-12(8)14)20-23(21,22)7-10-6-9(4-5-18-10)13(15,16)17/h2-6H,7H2,1H3,(H,19,20).
What are the key properties of N-(6-bromo-5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]methanesulfonamide?
N-(6-bromo-5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]methanesulfonamide has a molecular weight of 410.22 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 169220862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).