N-(3-sulfamoylphenyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide

C18H16F6N4O4S — CID 150456056

IUPACN-(3-sulfamoylphenyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCO[C@H](C(F)(F)F)C2)c1
InChIInChI=1S/C18H16F6N4O4S/c19-17(20,21)10-6-13(16(29)27-11-2-1-3-12(7-11)33(25,30)31)15(26-8-10)28-4-5-32-14(9-28)18(22,23)24/h1-3,6-8,14H,4-5,9H2,(H,27,29)(H2,25,30,31)/t14-/m0/s1
InChIKeyHOUQTPHHJZVBFE-AWEZNQCLSA-N
MW498.41 g/mol
LogP2.77
Rot. Bonds4

About N-(3-sulfamoylphenyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide

N-(3-sulfamoylphenyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide (PubChem CID 150456056) has the molecular formula C18H16F6N4O4S and a molecular weight of 498.41 g/mol. Its IUPAC name is N-(3-sulfamoylphenyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-sulfamoylphenyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide
PubChem CID150456056
Molecular FormulaC18H16F6N4O4S
Molecular Weight498.41 g/mol
Exact Mass498.08
IUPAC NameN-(3-sulfamoylphenyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCO[C@H](C(F)(F)F)C2)c1
InChIInChI=1S/C18H16F6N4O4S/c19-17(20,21)10-6-13(16(29)27-11-2-1-3-12(7-11)33(25,30)31)15(26-8-10)28-4-5-32-14(9-28)18(22,23)24/h1-3,6-8,14H,4-5,9H2,(H,27,29)(H2,25,30,31)/t14-/m0/s1
InChIKeyHOUQTPHHJZVBFE-AWEZNQCLSA-N
XLogP2.77
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-sulfamoylphenyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

methyl 1-[3-[(3-sulfamoylphenyl)carbamoyl]-5-(trifluoromethyl)-2-pyridinyl]azepane-4-carboxylate
CID 150043236
2-(azepan-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151302120
2-[2-ethyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146576276
2-(3-cyanopyrrolidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525806
2-[(3R)-3-cyanopyrrolidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525803
2-[(1S,5R)-3-azabicyclo[3.2.0]heptan-3-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525717
2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525749
2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525666
2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide
CID 95463386
2-(5,5-difluoro-2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146576274
2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylic acid
CID 95525298
5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-3-carboxamide
CID 157158718

Frequently Asked Questions

What is the IUPAC name of N-(3-sulfamoylphenyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-(3-sulfamoylphenyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide (CID 150456056) is N-(3-sulfamoylphenyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-sulfamoylphenyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(3-sulfamoylphenyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide is NS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCO[C@H](C(F)(F)F)C2)c1.
What is the InChIKey of N-(3-sulfamoylphenyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide?
The InChIKey is HOUQTPHHJZVBFE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H16F6N4O4S/c19-17(20,21)10-6-13(16(29)27-11-2-1-3-12(7-11)33(25,30)31)15(26-8-10)28-4-5-32-14(9-28)18(22,23)24/h1-3,6-8,14H,4-5,9H2,(H,27,29)(H2,25,30,31)/t14-/m0/s1.
What are the key properties of N-(3-sulfamoylphenyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide?
N-(3-sulfamoylphenyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide has a molecular weight of 498.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfamoylphenyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 150456056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).