4-[[6-[[6-(2-ethylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid

C26H26F3N3O5S — CID 154674650

IUPAC4-[[6-[[6-(2-ethylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
SMILESCCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(OC3CCC(C(=O)O)CC3)n2)ccc1C(F)(F)F
InChIInChI=1S/C26H26F3N3O5S/c1-2-16-6-3-4-7-19(16)24-20(26(27,28)29)14-15-21(30-24)32-38(35,36)23-9-5-8-22(31-23)37-18-12-10-17(11-13-18)25(33)34/h3-9,14-15,17-18H,2,10-13H2,1H3,(H,30,32)(H,33,34)
InChIKeyMTPLOOXHLXCFFF-UHFFFAOYSA-N
MW549.57 g/mol
LogP5.55
Rot. Bonds8

About 4-[[6-[[6-(2-ethylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid

4-[[6-[[6-(2-ethylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid (PubChem CID 154674650) has the molecular formula C26H26F3N3O5S and a molecular weight of 549.57 g/mol. Its IUPAC name is 4-[[6-[[6-(2-ethylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[6-[[6-(2-ethylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
PubChem CID154674650
Molecular FormulaC26H26F3N3O5S
Molecular Weight549.57 g/mol
Exact Mass549.15
IUPAC Name4-[[6-[[6-(2-ethylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
SMILESCCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(OC3CCC(C(=O)O)CC3)n2)ccc1C(F)(F)F
InChIInChI=1S/C26H26F3N3O5S/c1-2-16-6-3-4-7-19(16)24-20(26(27,28)29)14-15-21(30-24)32-38(35,36)23-9-5-8-22(31-23)37-18-12-10-17(11-13-18)25(33)34/h3-9,14-15,17-18H,2,10-13H2,1H3,(H,30,32)(H,33,34)
InChIKeyMTPLOOXHLXCFFF-UHFFFAOYSA-N
XLogP5.55
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.57
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[6-[[6-(2-ethylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

2-[(3R)-1-[6-[[6-(2-ethylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidin-3-yl]acetic acid
CID 155046836
N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(oxolan-3-yloxy)pyridine-2-sulfonamide
CID 166653957
2-[1-[6-[[6-(2-ethylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidin-4-yl]acetic acid
CID 155046892
8-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octane-6-carboxylic acid
CID 166716602
6-[(3R)-4-hydroxy-4-methyloxolan-3-yl]oxy-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134344551
ethyl 2-methyl-2-[1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidin-4-yl]propanoate
CID 154674773
2-methyl-1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-6-propylpiperidine-4-carboxylic acid
CID 134345688
2-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-5-propyl-2-azabicyclo[4.2.0]octane-7-carboxylic acid
CID 134306478
3-[cyclopropylmethyl-[6-[[6-[2-(trideuteriomethyl)phenyl]-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoic acid
CID 164745306
6-amino-N-[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134344472
1-[6-[[6-[2-(2-hydroxyethyl)phenyl]-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid
CID 134306728
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

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[[6-(2-ethylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[6-[[6-(2-ethylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid (CID 154674650) is 4-[[6-[[6-(2-ethylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[6-[[6-(2-ethylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[6-[[6-(2-ethylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid is CCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(OC3CCC(C(=O)O)CC3)n2)ccc1C(F)(F)F.
What is the InChIKey of 4-[[6-[[6-(2-ethylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The InChIKey is MTPLOOXHLXCFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O5S/c1-2-16-6-3-4-7-19(16)24-20(26(27,28)29)14-15-21(30-24)32-38(35,36)23-9-5-8-22(31-23)37-18-12-10-17(11-13-18)25(33)34/h3-9,14-15,17-18H,2,10-13H2,1H3,(H,30,32)(H,33,34).
What are the key properties of 4-[[6-[[6-(2-ethylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
4-[[6-[[6-(2-ethylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid has a molecular weight of 549.57 g/mol, XLogP of 5.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[[6-(2-ethylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 154674650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).