6-(2-chlorophenyl)-5-methylpyridine-3-sulfonic acid;4-fluoro-2-(trifluoromethyl)benzamide

C20H15ClF4N2O4S — CID 87212315

IUPAC6-(2-chlorophenyl)-5-methylpyridine-3-sulfonic acid;4-fluoro-2-(trifluoromethyl)benzamide
SMILESCc1cc(S(=O)(=O)O)cnc1-c1ccccc1Cl.NC(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C12H10ClNO3S.C8H5F4NO/c1-8-6-9(18(15,16)17)7-14-12(8)10-4-2-3-5-11(10)13;9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h2-7H,1H3,(H,15,16,17);1-3H,(H2,13,14)
InChIKeyOHBXLOYMBZAZNL-UHFFFAOYSA-N
MW490.86 g/mol
LogP4.90
Rot. Bonds3

About 6-(2-chlorophenyl)-5-methylpyridine-3-sulfonic acid;4-fluoro-2-(trifluoromethyl)benzamide

6-(2-chlorophenyl)-5-methylpyridine-3-sulfonic acid;4-fluoro-2-(trifluoromethyl)benzamide (PubChem CID 87212315) has the molecular formula C20H15ClF4N2O4S and a molecular weight of 490.86 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-5-methylpyridine-3-sulfonic acid;4-fluoro-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-5-methylpyridine-3-sulfonic acid;4-fluoro-2-(trifluoromethyl)benzamide
PubChem CID87212315
Molecular FormulaC20H15ClF4N2O4S
Molecular Weight490.86 g/mol
Exact Mass490.04
IUPAC Name6-(2-chlorophenyl)-5-methylpyridine-3-sulfonic acid;4-fluoro-2-(trifluoromethyl)benzamide
SMILESCc1cc(S(=O)(=O)O)cnc1-c1ccccc1Cl.NC(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C12H10ClNO3S.C8H5F4NO/c1-8-6-9(18(15,16)17)7-14-12(8)10-4-2-3-5-11(10)13;9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h2-7H,1H3,(H,15,16,17);1-3H,(H2,13,14)
InChIKeyOHBXLOYMBZAZNL-UHFFFAOYSA-N
XLogP4.90
TPSA110.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.86
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 6-(2-chlorophenyl)-5-methylpyridine-3-sulfonic acid;4-fluoro-2-(trifluoromethyl)benzamide 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

4-(5-Chloro-6-(3,5-difluorophenyl)-3-
CID 117993930
4-Chloro-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carboxamide
CID 21476789
2-chloro-N-[[6-(2-chlorophenyl)-5-methyl-3-pyridinyl]sulfonyl]-4-fluorobenzamide
CID 25114701
N-[6-[2,4-bis(trifluoromethyl)phenyl]pyridin-3-yl]sulfonyl-2,4-dichlorobenzamide
CID 25114930
N-[6-(2-chlorophenyl)-5-methylpyridin-3-yl]sulfonyl-4-fluoro-2-(trifluoromethyl)benzamide
CID 25115154
N-(4-chloro-3-(5-(trifluoromethyl)pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide
CID 58614722
N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(N-(2,2,2-trifluoroethyl)sulfamoyl)benzamide
CID 58614787
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 58614807
5-Chloro-2-[[4-(3-chloro-2-pyridinyl)-3-fluorobenzoyl]amino]benzenesulfonic acid
CID 59673146
4-(3-chloropyridin-2-yl)-3-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]benzamide
CID 71121048
6-[2,4-Bis(trifluoromethyl)phenyl]pyridine-3-sulfonic acid;2,4-dichlorobenzamide
CID 87212311
2,4-Bis(trifluoromethyl)benzamide;5-bromo-6-chloropyridine-3-sulfonic acid
CID 87659596

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-5-methylpyridine-3-sulfonic acid;4-fluoro-2-(trifluoromethyl)benzamide?
The IUPAC name of 6-(2-chlorophenyl)-5-methylpyridine-3-sulfonic acid;4-fluoro-2-(trifluoromethyl)benzamide (CID 87212315) is 6-(2-chlorophenyl)-5-methylpyridine-3-sulfonic acid;4-fluoro-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 6-(2-chlorophenyl)-5-methylpyridine-3-sulfonic acid;4-fluoro-2-(trifluoromethyl)benzamide?
The canonical SMILES for 6-(2-chlorophenyl)-5-methylpyridine-3-sulfonic acid;4-fluoro-2-(trifluoromethyl)benzamide is Cc1cc(S(=O)(=O)O)cnc1-c1ccccc1Cl.NC(=O)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 6-(2-chlorophenyl)-5-methylpyridine-3-sulfonic acid;4-fluoro-2-(trifluoromethyl)benzamide?
The InChIKey is OHBXLOYMBZAZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3S.C8H5F4NO/c1-8-6-9(18(15,16)17)7-14-12(8)10-4-2-3-5-11(10)13;9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h2-7H,1H3,(H,15,16,17);1-3H,(H2,13,14).
What are the key properties of 6-(2-chlorophenyl)-5-methylpyridine-3-sulfonic acid;4-fluoro-2-(trifluoromethyl)benzamide?
6-(2-chlorophenyl)-5-methylpyridine-3-sulfonic acid;4-fluoro-2-(trifluoromethyl)benzamide has a molecular weight of 490.86 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-5-methylpyridine-3-sulfonic acid;4-fluoro-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 87212315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).