N-(2-bromo-4-methylsulfonylphenyl)-4-(trifluoromethyl)pyridin-2-amine

C13H10BrF3N2O2S — CID 155342991

IUPACN-(2-bromo-4-methylsulfonylphenyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(Nc2cc(C(F)(F)F)ccn2)c(Br)c1
InChIInChI=1S/C13H10BrF3N2O2S/c1-22(20,21)9-2-3-11(10(14)7-9)19-12-6-8(4-5-18-12)13(15,16)17/h2-7H,1H3,(H,18,19)
InChIKeyGKIZBCBXQCLFPA-UHFFFAOYSA-N
MW395.20 g/mol
LogP4.01
Rot. Bonds3

About N-(2-bromo-4-methylsulfonylphenyl)-4-(trifluoromethyl)pyridin-2-amine

N-(2-bromo-4-methylsulfonylphenyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 155342991) has the molecular formula C13H10BrF3N2O2S and a molecular weight of 395.20 g/mol. Its IUPAC name is N-(2-bromo-4-methylsulfonylphenyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-methylsulfonylphenyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID155342991
Molecular FormulaC13H10BrF3N2O2S
Molecular Weight395.20 g/mol
Exact Mass393.96
IUPAC NameN-(2-bromo-4-methylsulfonylphenyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(Nc2cc(C(F)(F)F)ccn2)c(Br)c1
InChIInChI=1S/C13H10BrF3N2O2S/c1-22(20,21)9-2-3-11(10(14)7-9)19-12-6-8(4-5-18-12)13(15,16)17/h2-7H,1H3,(H,18,19)
InChIKeyGKIZBCBXQCLFPA-UHFFFAOYSA-N
XLogP4.01
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-bromo-4-methylsulfonylphenyl)-4-(trifluoromethyl)pyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylsulfonylphenyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-bromo-4-methylsulfonylphenyl)-4-(trifluoromethyl)pyridin-2-amine (CID 155342991) is N-(2-bromo-4-methylsulfonylphenyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-bromo-4-methylsulfonylphenyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-bromo-4-methylsulfonylphenyl)-4-(trifluoromethyl)pyridin-2-amine is CS(=O)(=O)c1ccc(Nc2cc(C(F)(F)F)ccn2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylsulfonylphenyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is GKIZBCBXQCLFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2O2S/c1-22(20,21)9-2-3-11(10(14)7-9)19-12-6-8(4-5-18-12)13(15,16)17/h2-7H,1H3,(H,18,19).
What are the key properties of N-(2-bromo-4-methylsulfonylphenyl)-4-(trifluoromethyl)pyridin-2-amine?
N-(2-bromo-4-methylsulfonylphenyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 395.20 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylsulfonylphenyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 155342991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).