(2R)-4-[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]morpholine-2-carboxylic acid

C23H21F3N4O5S — CID 153409750

IUPAC(2R)-4-[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]morpholine-2-carboxylic acid
SMILESCc1ccccc1-c1cc(NS(=O)(=O)c2ccnc(N3CCO[C@@H](C(=O)O)C3)c2)ncc1C(F)(F)F
InChIInChI=1S/C23H21F3N4O5S/c1-14-4-2-3-5-16(14)17-11-20(28-12-18(17)23(24,25)26)29-36(33,34)15-6-7-27-21(10-15)30-8-9-35-19(13-30)22(31)32/h2-7,10-12,19H,8-9,13H2,1H3,(H,28,29)(H,31,32)/t19-/m1/s1
InChIKeyCLTOUEUOMCOSNF-LJQANCHMSA-N
MW522.51 g/mol
LogP3.56
Rot. Bonds6

About (2R)-4-[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]morpholine-2-carboxylic acid

(2R)-4-[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]morpholine-2-carboxylic acid (PubChem CID 153409750) has the molecular formula C23H21F3N4O5S and a molecular weight of 522.51 g/mol. Its IUPAC name is (2R)-4-[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]morpholine-2-carboxylic acid
PubChem CID153409750
Molecular FormulaC23H21F3N4O5S
Molecular Weight522.51 g/mol
Exact Mass522.12
IUPAC Name(2R)-4-[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]morpholine-2-carboxylic acid
SMILESCc1ccccc1-c1cc(NS(=O)(=O)c2ccnc(N3CCO[C@@H](C(=O)O)C3)c2)ncc1C(F)(F)F
InChIInChI=1S/C23H21F3N4O5S/c1-14-4-2-3-5-16(14)17-11-20(28-12-18(17)23(24,25)26)29-36(33,34)15-6-7-27-21(10-15)30-8-9-35-19(13-30)22(31)32/h2-7,10-12,19H,8-9,13H2,1H3,(H,28,29)(H,31,32)/t19-/m1/s1
InChIKeyCLTOUEUOMCOSNF-LJQANCHMSA-N
XLogP3.56
TPSA121.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-4-[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]morpholine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-1-[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 153409730
(3R)-1-[4-[[4-(2-cyclobutylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-3-carboxylic acid
CID 153409700
3-[[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 153409693
(2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid
CID 97108044
methyl 4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate
CID 79839039
N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2-(3-hydroxy-3-methylazetidin-1-yl)pyridine-4-sulfonamide
CID 134306826
N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2-piperazin-1-ylpyridine-4-sulfonamide
CID 134328909
4-(2,6-dimethylphenyl)morpholine-2-carboxylic acid
CID 117008757
pyrrolidin-1-yl-[4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone
CID 155799944
N-[3-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 86297092
methyl 4-(4-amino-2-pyridinyl)morpholine-2-carboxylate
CID 114053213
morpholin-4-yl-[4-[3-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone
CID 155981081

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]morpholine-2-carboxylic acid (CID 153409750) is (2R)-4-[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]morpholine-2-carboxylic acid is Cc1ccccc1-c1cc(NS(=O)(=O)c2ccnc(N3CCO[C@@H](C(=O)O)C3)c2)ncc1C(F)(F)F.
What is the InChIKey of (2R)-4-[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]morpholine-2-carboxylic acid?
The InChIKey is CLTOUEUOMCOSNF-LJQANCHMSA-N. The full InChI is InChI=1S/C23H21F3N4O5S/c1-14-4-2-3-5-16(14)17-11-20(28-12-18(17)23(24,25)26)29-36(33,34)15-6-7-27-21(10-15)30-8-9-35-19(13-30)22(31)32/h2-7,10-12,19H,8-9,13H2,1H3,(H,28,29)(H,31,32)/t19-/m1/s1.
What are the key properties of (2R)-4-[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]morpholine-2-carboxylic acid?
(2R)-4-[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]morpholine-2-carboxylic acid has a molecular weight of 522.51 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 153409750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).