6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide

C19H16F4N4O2S — CID 154674698

IUPAC6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESCC(C)c1ccncc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F
InChIInChI=1S/C19H16F4N4O2S/c1-11(2)12-8-9-24-10-13(12)18-14(19(21,22)23)6-7-16(26-18)27-30(28,29)17-5-3-4-15(20)25-17/h3-11H,1-2H3,(H,26,27)
InChIKeyMHAWXXCSZBPSOB-UHFFFAOYSA-N
MW440.42 g/mol
LogP4.62
Rot. Bonds5

About 6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide

6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (PubChem CID 154674698) has the molecular formula C19H16F4N4O2S and a molecular weight of 440.42 g/mol. Its IUPAC name is 6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
PubChem CID154674698
Molecular FormulaC19H16F4N4O2S
Molecular Weight440.42 g/mol
Exact Mass440.09
IUPAC Name6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESCC(C)c1ccncc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F
InChIInChI=1S/C19H16F4N4O2S/c1-11(2)12-8-9-24-10-13(12)18-14(19(21,22)23)6-7-16(26-18)27-30(28,29)17-5-3-4-15(20)25-17/h3-11H,1-2H3,(H,26,27)
InChIKeyMHAWXXCSZBPSOB-UHFFFAOYSA-N
XLogP4.62
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

Mmv-048
CID 53311393
N-(6-((1S)-1-(4-Fluorophenyl)-2,2-di-3-pyridinylethyl)-2-pyridinyl)methanesulfonamide
CID 11525190
1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-pyridin-2-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 25007293
1-{4-Fluoro-5-(2-fluoropyridin-3-yl)-1-[(4-methylpyridin-2-yl)sulfonyl]-1H-pyrrol-3-yl}-N-methylmethanamine
CID 44634482
5-(4-Methylsulfonylphenyl)-3-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-amine
CID 53311310
2-Phenyl-6-(4-pyridin-4-ylpiperidin-1-yl)sulfonylpyridine
CID 58211074
1-{4-fluoro-5-(2-fluoropyridin-3-yl)-1-[(3-methylpyridin-2-yl)sulfonyl]-1H-pyrrol-3-yl}-N-methylmethanamine
CID 67084257
1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-[(6-fluoro-2-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine
CID 67084289
1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-[(6-methyl-2-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine
CID 67152694
1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-[(5-fluoro-2-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine
CID 67177060
4-[5-amino-6-[6-(trifluoromethyl)-3-pyridyl]pyrazin-2-yl]-N-methyl-benzenesulfonamide
CID 71711988
N-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide
CID 141461664

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The IUPAC name of 6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (CID 154674698) is 6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.
What is the SMILES notation for 6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The canonical SMILES for 6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is CC(C)c1ccncc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.
What is the InChIKey of 6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The InChIKey is MHAWXXCSZBPSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O2S/c1-11(2)12-8-9-24-10-13(12)18-14(19(21,22)23)6-7-16(26-18)27-30(28,29)17-5-3-4-15(20)25-17/h3-11H,1-2H3,(H,26,27).
What are the key properties of 6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide has a molecular weight of 440.42 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is sourced from PubChem (CID 154674698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).