6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-phenoxy-N-pyridin-2-ylsulfonylpyridine-3-carboxamide

C27H24FN3O5S — CID 131989351

IUPAC6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-phenoxy-N-pyridin-2-ylsulfonylpyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccccn3)c(Oc3ccccc3)n2)c1
InChIInChI=1S/C27H24FN3O5S/c1-18(2)17-35-22-15-19(14-20(28)16-22)24-12-11-23(27(30-24)36-21-8-4-3-5-9-21)26(32)31-37(33,34)25-10-6-7-13-29-25/h3-16,18H,17H2,1-2H3,(H,31,32)
InChIKeyPOZRBWNJULDRJK-UHFFFAOYSA-N
MW521.57 g/mol
LogP5.23
Rot. Bonds9

About 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-phenoxy-N-pyridin-2-ylsulfonylpyridine-3-carboxamide

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-phenoxy-N-pyridin-2-ylsulfonylpyridine-3-carboxamide (PubChem CID 131989351) has the molecular formula C27H24FN3O5S and a molecular weight of 521.57 g/mol. Its IUPAC name is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-phenoxy-N-pyridin-2-ylsulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-phenoxy-N-pyridin-2-ylsulfonylpyridine-3-carboxamide
PubChem CID131989351
Molecular FormulaC27H24FN3O5S
Molecular Weight521.57 g/mol
Exact Mass521.14
IUPAC Name6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-phenoxy-N-pyridin-2-ylsulfonylpyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccccn3)c(Oc3ccccc3)n2)c1
InChIInChI=1S/C27H24FN3O5S/c1-18(2)17-35-22-15-19(14-20(28)16-22)24-12-11-23(27(30-24)36-21-8-4-3-5-9-21)26(32)31-37(33,34)25-10-6-7-13-29-25/h3-16,18H,17H2,1-2H3,(H,31,32)
InChIKeyPOZRBWNJULDRJK-UHFFFAOYSA-N
XLogP5.23
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.57
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-Ethoxy-N-(4-{[2-(pyridin-3-YL)piperidin-1-YL]sulfonyl}phenyl)benzamide
CID 3622154
US11020381, Example 128
CID 137525684
US11020381, Example 64
CID 137525718
US11020381, Example 127
CID 137525721
US11020381, Example 130
CID 137526027
US11020381, Example 126
CID 142537165
US11020381, Example 63
CID 137525780
US11020381, Example 113
CID 142537179
N-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 44759446
2-[[5-Fluoro-3-[[4-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]carbamoyl]-2-pyridinyl]oxy]-6-methylbenzenesulfonic acid
CID 21877162
5-fluoro-2-(3-methylsulfonylphenoxy)-N-[4-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]pyridine-3-carboxamide
CID 21877188
2-(4-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
CID 22612057

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-phenoxy-N-pyridin-2-ylsulfonylpyridine-3-carboxamide?
The IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-phenoxy-N-pyridin-2-ylsulfonylpyridine-3-carboxamide (CID 131989351) is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-phenoxy-N-pyridin-2-ylsulfonylpyridine-3-carboxamide.
What is the SMILES notation for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-phenoxy-N-pyridin-2-ylsulfonylpyridine-3-carboxamide?
The canonical SMILES for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-phenoxy-N-pyridin-2-ylsulfonylpyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccccn3)c(Oc3ccccc3)n2)c1.
What is the InChIKey of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-phenoxy-N-pyridin-2-ylsulfonylpyridine-3-carboxamide?
The InChIKey is POZRBWNJULDRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O5S/c1-18(2)17-35-22-15-19(14-20(28)16-22)24-12-11-23(27(30-24)36-21-8-4-3-5-9-21)26(32)31-37(33,34)25-10-6-7-13-29-25/h3-16,18H,17H2,1-2H3,(H,31,32).
What are the key properties of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-phenoxy-N-pyridin-2-ylsulfonylpyridine-3-carboxamide?
6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-phenoxy-N-pyridin-2-ylsulfonylpyridine-3-carboxamide has a molecular weight of 521.57 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-phenoxy-N-pyridin-2-ylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 131989351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).