6-[(4-hydroxyoxan-3-yl)amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide

C23H23F3N4O4S — CID 134306583

IUPAC6-[(4-hydroxyoxan-3-yl)amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(NC3COCCC3O)n2)ccc1C(F)(F)F
InChIInChI=1S/C23H23F3N4O4S/c1-14-5-2-3-6-15(14)22-16(23(24,25)26)9-10-20(29-22)30-35(32,33)21-8-4-7-19(28-21)27-17-13-34-12-11-18(17)31/h2-10,17-18,31H,11-13H2,1H3,(H,27,28)(H,29,30)
InChIKeyFVJWCXCLQXOHDR-UHFFFAOYSA-N
MW508.52 g/mol
LogP3.83
Rot. Bonds6

About 6-[(4-hydroxyoxan-3-yl)amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide

6-[(4-hydroxyoxan-3-yl)amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (PubChem CID 134306583) has the molecular formula C23H23F3N4O4S and a molecular weight of 508.52 g/mol. Its IUPAC name is 6-[(4-hydroxyoxan-3-yl)amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-[(4-hydroxyoxan-3-yl)amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
PubChem CID134306583
Molecular FormulaC23H23F3N4O4S
Molecular Weight508.52 g/mol
Exact Mass508.14
IUPAC Name6-[(4-hydroxyoxan-3-yl)amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(NC3COCCC3O)n2)ccc1C(F)(F)F
InChIInChI=1S/C23H23F3N4O4S/c1-14-5-2-3-6-15(14)22-16(23(24,25)26)9-10-20(29-22)30-35(32,33)21-8-4-7-19(28-21)27-17-13-34-12-11-18(17)31/h2-10,17-18,31H,11-13H2,1H3,(H,27,28)(H,29,30)
InChIKeyFVJWCXCLQXOHDR-UHFFFAOYSA-N
XLogP3.83
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.52
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(oxolan-3-yloxy)pyridine-2-sulfonamide
CID 166653957
6-[[(3S,4R)-3-methoxypiperidin-4-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride
CID 134306683
6-[(3R)-4-hydroxy-4-methyloxolan-3-yl]oxy-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134344551
1-[[[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 155046816
6-[(3R)-3-aminopyrrolidin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride
CID 134308318
(1S,6R,7S)-2-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-2-azabicyclo[4.2.0]octane-7-carboxylic acid
CID 134344588
8-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octane-6-carboxylic acid
CID 166716602
tert-butyl 4-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 134306526
2-[[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 175167378
3-[1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidin-2-yl]propanoic acid
CID 155046838
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
ethyl 2-methyl-2-[1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidin-4-yl]propanoate
CID 154674773

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxyoxan-3-yl)amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The IUPAC name of 6-[(4-hydroxyoxan-3-yl)amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (CID 134306583) is 6-[(4-hydroxyoxan-3-yl)amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.
What is the SMILES notation for 6-[(4-hydroxyoxan-3-yl)amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The canonical SMILES for 6-[(4-hydroxyoxan-3-yl)amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(NC3COCCC3O)n2)ccc1C(F)(F)F.
What is the InChIKey of 6-[(4-hydroxyoxan-3-yl)amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The InChIKey is FVJWCXCLQXOHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O4S/c1-14-5-2-3-6-15(14)22-16(23(24,25)26)9-10-20(29-22)30-35(32,33)21-8-4-7-19(28-21)27-17-13-34-12-11-18(17)31/h2-10,17-18,31H,11-13H2,1H3,(H,27,28)(H,29,30).
What are the key properties of 6-[(4-hydroxyoxan-3-yl)amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
6-[(4-hydroxyoxan-3-yl)amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide has a molecular weight of 508.52 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxyoxan-3-yl)amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is sourced from PubChem (CID 134306583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).