3-bromo-4-methyl-N-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine

C14H12BrF3N2O2S — CID 175068654

IUPAC3-bromo-4-methyl-N-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCc1ccnc(Nc2ccc(S(C)(=O)=O)cc2C(F)(F)F)c1Br
InChIInChI=1S/C14H12BrF3N2O2S/c1-8-5-6-19-13(12(8)15)20-11-4-3-9(23(2,21)22)7-10(11)14(16,17)18/h3-7H,1-2H3,(H,19,20)
InChIKeyNQYWSOSRJDIDEK-UHFFFAOYSA-N
MW409.23 g/mol
LogP4.32
Rot. Bonds3

About 3-bromo-4-methyl-N-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine

3-bromo-4-methyl-N-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 175068654) has the molecular formula C14H12BrF3N2O2S and a molecular weight of 409.23 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-methyl-N-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID175068654
Molecular FormulaC14H12BrF3N2O2S
Molecular Weight409.23 g/mol
Exact Mass407.98
IUPAC Name3-bromo-4-methyl-N-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCc1ccnc(Nc2ccc(S(C)(=O)=O)cc2C(F)(F)F)c1Br
InChIInChI=1S/C14H12BrF3N2O2S/c1-8-5-6-19-13(12(8)15)20-11-4-3-9(23(2,21)22)7-10(11)14(16,17)18/h3-7H,1-2H3,(H,19,20)
InChIKeyNQYWSOSRJDIDEK-UHFFFAOYSA-N
XLogP4.32
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.23
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-4-methyl-N-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]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 3-bromo-4-methyl-N-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 3-bromo-4-methyl-N-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine (CID 175068654) is 3-bromo-4-methyl-N-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-4-methyl-N-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-4-methyl-N-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine is Cc1ccnc(Nc2ccc(S(C)(=O)=O)cc2C(F)(F)F)c1Br.
What is the InChIKey of 3-bromo-4-methyl-N-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is NQYWSOSRJDIDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2O2S/c1-8-5-6-19-13(12(8)15)20-11-4-3-9(23(2,21)22)7-10(11)14(16,17)18/h3-7H,1-2H3,(H,19,20).
What are the key properties of 3-bromo-4-methyl-N-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine?
3-bromo-4-methyl-N-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 409.23 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 175068654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).