N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carboxamide

C23H19F6N5O4S — CID 146525729

IUPACN-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCOC(c3ccc(C(F)(F)F)cc3)C2)ccn1
InChIInChI=1S/C23H19F6N5O4S/c24-22(25,26)14-3-1-13(2-4-14)18-12-34(7-8-38-18)20-17(9-15(11-32-20)23(27,28)29)21(35)33-16-5-6-31-19(10-16)39(30,36)37/h1-6,9-11,18H,7-8,12H2,(H2,30,36,37)(H,31,33,35)
InChIKeyOZVFORYPNPHJAZ-UHFFFAOYSA-N
MW575.49 g/mol
LogP3.99
Rot. Bonds5

About N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carboxamide

N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carboxamide (PubChem CID 146525729) has the molecular formula C23H19F6N5O4S and a molecular weight of 575.49 g/mol. Its IUPAC name is N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carboxamide
PubChem CID146525729
Molecular FormulaC23H19F6N5O4S
Molecular Weight575.49 g/mol
Exact Mass575.11
IUPAC NameN-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCOC(c3ccc(C(F)(F)F)cc3)C2)ccn1
InChIInChI=1S/C23H19F6N5O4S/c24-22(25,26)14-3-1-13(2-4-14)18-12-34(7-8-38-18)20-17(9-15(11-32-20)23(27,28)29)21(35)33-16-5-6-31-19(10-16)39(30,36)37/h1-6,9-11,18H,7-8,12H2,(H2,30,36,37)(H,31,33,35)
InChIKeyOZVFORYPNPHJAZ-UHFFFAOYSA-N
XLogP3.99
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.49
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

US11377438, Example 110
CID 146525668
US11377438, Example 118
CID 146525678
US11377438, Example 85
CID 146525689
US11377438, Example 106
CID 146525708
US11377438, Example 133
CID 146525716
US11377438, Example 104
CID 146525730
US11377438, Example 135
CID 146525731
US11377438, Example 111
CID 146525739
US11377438, Example 136
CID 146525740
US11377438, Example 119
CID 146525748
US11377438, Example 81
CID 146525753
US11377438, Example 102
CID 146525780

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carboxamide (CID 146525729) is N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carboxamide is NS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCOC(c3ccc(C(F)(F)F)cc3)C2)ccn1.
What is the InChIKey of N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carboxamide?
The InChIKey is OZVFORYPNPHJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F6N5O4S/c24-22(25,26)14-3-1-13(2-4-14)18-12-34(7-8-38-18)20-17(9-15(11-32-20)23(27,28)29)21(35)33-16-5-6-31-19(10-16)39(30,36)37/h1-6,9-11,18H,7-8,12H2,(H2,30,36,37)(H,31,33,35).
What are the key properties of N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carboxamide?
N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carboxamide has a molecular weight of 575.49 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 146525729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).