N-(4-bromo-2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C14H10BrF3N2O3S — CID 178180304

IUPACN-(4-bromo-2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)c1cc(Br)ccc1NC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H10BrF3N2O3S/c1-24(22,23)11-6-9(15)3-4-10(11)20-13(21)8-2-5-12(19-7-8)14(16,17)18/h2-7H,1H3,(H,20,21)
InChIKeyHAWONOLZAJRLID-UHFFFAOYSA-N
MW423.21 g/mol
LogP3.52
Rot. Bonds3

About N-(4-bromo-2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-(4-bromo-2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 178180304) has the molecular formula C14H10BrF3N2O3S and a molecular weight of 423.21 g/mol. Its IUPAC name is N-(4-bromo-2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID178180304
Molecular FormulaC14H10BrF3N2O3S
Molecular Weight423.21 g/mol
Exact Mass421.95
IUPAC NameN-(4-bromo-2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)c1cc(Br)ccc1NC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H10BrF3N2O3S/c1-24(22,23)11-6-9(15)3-4-10(11)20-13(21)8-2-5-12(19-7-8)14(16,17)18/h2-7H,1H3,(H,20,21)
InChIKeyHAWONOLZAJRLID-UHFFFAOYSA-N
XLogP3.52
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.21
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide 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-difluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33164256
N-[4-bromo-2-(trifluoromethyl)phenyl]-6-fluoropyridine-3-carboxamide
CID 63971624
N-(4-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86926666
N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33174489
N-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide
CID 26239627
N-(5-acetyl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 167658935
N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 55487840
N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64794112
N-[2-[(dimethylamino)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38436444
N-(2-nitro-4,5-dipropoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134026408
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
N-(3-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 24685793

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 178180304) is N-(4-bromo-2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide is CS(=O)(=O)c1cc(Br)ccc1NC(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(4-bromo-2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is HAWONOLZAJRLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3N2O3S/c1-24(22,23)11-6-9(15)3-4-10(11)20-13(21)8-2-5-12(19-7-8)14(16,17)18/h2-7H,1H3,(H,20,21).
What are the key properties of N-(4-bromo-2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(4-bromo-2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 423.21 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 178180304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).