6-fluoro-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide

C18H12F5N3O2S — CID 134344498

IUPAC6-fluoro-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESCc1ccc(F)cc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F
InChIInChI=1S/C18H12F5N3O2S/c1-10-5-6-11(19)9-12(10)17-13(18(21,22)23)7-8-15(25-17)26-29(27,28)16-4-2-3-14(20)24-16/h2-9H,1H3,(H,25,26)
InChIKeyRSZJUGXGYGDCCH-UHFFFAOYSA-N
MW429.37 g/mol
LogP4.55
Rot. Bonds4

About 6-fluoro-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide

6-fluoro-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (PubChem CID 134344498) has the molecular formula C18H12F5N3O2S and a molecular weight of 429.37 g/mol. Its IUPAC name is 6-fluoro-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-fluoro-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
PubChem CID134344498
Molecular FormulaC18H12F5N3O2S
Molecular Weight429.37 g/mol
Exact Mass429.06
IUPAC Name6-fluoro-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESCc1ccc(F)cc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F
InChIInChI=1S/C18H12F5N3O2S/c1-10-5-6-11(19)9-12(10)17-13(18(21,22)23)7-8-15(25-17)26-29(27,28)16-4-2-3-14(20)24-16/h2-9H,1H3,(H,25,26)
InChIKeyRSZJUGXGYGDCCH-UHFFFAOYSA-N
XLogP4.55
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-fluoro-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide with MolForge

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Related Compounds

3-[ethyl-[6-[[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoic acid
CID 154674674
6-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134308296
(3R)-1-[6-[[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid
CID 134308381
2-[(3R)-1-[6-[[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidin-3-yl]acetic acid
CID 155046831
N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2-piperazin-1-ylpyridine-4-sulfonamide
CID 134328909
N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2-(3-hydroxy-3-methylazetidin-1-yl)pyridine-4-sulfonamide
CID 134306826
6-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134344533
1-[[[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 155046816
sodium;6-[(6-fluoro-2-pyridinyl)sulfonylmethyl]-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;hydride;6-[(3R,4S)-4-hydroxyoxolan-3-yl]oxy-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-[(3S,4R)-4-hydroxyoxolan-3-yl]oxy-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;(3R,4S)-oxolane-3,4-diol
CID 158689325
tert-butyl 3-(cyclobutylamino)propanoate;tert-butyl 3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoate;3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoic acid;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 165059341
N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(oxolan-3-yloxy)pyridine-2-sulfonamide
CID 166653957
6-[(3R)-3-aminopyrrolidin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride
CID 134308318

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The IUPAC name of 6-fluoro-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (CID 134344498) is 6-fluoro-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.
What is the SMILES notation for 6-fluoro-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The canonical SMILES for 6-fluoro-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is Cc1ccc(F)cc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.
What is the InChIKey of 6-fluoro-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The InChIKey is RSZJUGXGYGDCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N3O2S/c1-10-5-6-11(19)9-12(10)17-13(18(21,22)23)7-8-15(25-17)26-29(27,28)16-4-2-3-14(20)24-16/h2-9H,1H3,(H,25,26).
What are the key properties of 6-fluoro-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
6-fluoro-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide has a molecular weight of 429.37 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is sourced from PubChem (CID 134344498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).