N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]pyridine-3-carboxamide

C22H17F6N5O4S — CID 146525933

IUPACN-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CC(Oc3ccc(C(F)(F)F)cc3)C2)ccn1
InChIInChI=1S/C22H17F6N5O4S/c23-21(24,25)12-1-3-15(4-2-12)37-16-10-33(11-16)19-17(7-13(9-31-19)22(26,27)28)20(34)32-14-5-6-30-18(8-14)38(29,35)36/h1-9,16H,10-11H2,(H2,29,35,36)(H,30,32,34)
InChIKeyFAPYHIQBAOPJLE-UHFFFAOYSA-N
MW561.46 g/mol
LogP3.68
Rot. Bonds6

About N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]pyridine-3-carboxamide

N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]pyridine-3-carboxamide (PubChem CID 146525933) has the molecular formula C22H17F6N5O4S and a molecular weight of 561.46 g/mol. Its IUPAC name is N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]pyridine-3-carboxamide
PubChem CID146525933
Molecular FormulaC22H17F6N5O4S
Molecular Weight561.46 g/mol
Exact Mass561.09
IUPAC NameN-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CC(Oc3ccc(C(F)(F)F)cc3)C2)ccn1
InChIInChI=1S/C22H17F6N5O4S/c23-21(24,25)12-1-3-15(4-2-12)37-16-10-33(11-16)19-17(7-13(9-31-19)22(26,27)28)20(34)32-14-5-6-30-18(8-14)38(29,35)36/h1-9,16H,10-11H2,(H2,29,35,36)(H,30,32,34)
InChIKeyFAPYHIQBAOPJLE-UHFFFAOYSA-N
XLogP3.68
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)-5-(trifluoromethoxy)pyridine-3-carboxamide
CID 146525665
US11377438, Example 171
CID 146525686
US11377438, Example 91
CID 146525729
US11377438, Example 182
CID 146525763
US11377438, Example 20
CID 146525843
US11377438, Example 90
CID 146525865
US11377438, Example 142
CID 146525882
US11377438, Example 183
CID 146525953
US11377438, Example 98
CID 146525769
N-(2-ethoxyphenyl)-2-fluoro-5-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}benzamide
CID 3352192
N-(2-ethoxyphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
CID 5082469
N-[(4-Methoxyphenyl)methyl]-2-{4-[4-(trifluoromethyl)benzenesulfonyl]piperazin-1-YL}pyridine-3-carboxamide
CID 46084545

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]pyridine-3-carboxamide (CID 146525933) is N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]pyridine-3-carboxamide is NS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CC(Oc3ccc(C(F)(F)F)cc3)C2)ccn1.
What is the InChIKey of N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]pyridine-3-carboxamide?
The InChIKey is FAPYHIQBAOPJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F6N5O4S/c23-21(24,25)12-1-3-15(4-2-12)37-16-10-33(11-16)19-17(7-13(9-31-19)22(26,27)28)20(34)32-14-5-6-30-18(8-14)38(29,35)36/h1-9,16H,10-11H2,(H2,29,35,36)(H,30,32,34).
What are the key properties of N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]pyridine-3-carboxamide?
N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]pyridine-3-carboxamide has a molecular weight of 561.46 g/mol, XLogP of 3.68, 6 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-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 146525933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).