6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-fluoro-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide

C22H13ClF3N3O4S — CID 58734239

IUPAC6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-fluoro-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccon1)c1cnc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C22H13ClF3N3O4S/c23-13-1-4-15(5-2-13)34(31,32)21(16-10-14(24)3-6-17(16)25)20-18(26)9-12(11-27-20)22(30)28-19-7-8-33-29-19/h1-11,21H,(H,28,29,30)
InChIKeySVUOHKCLALYSEH-UHFFFAOYSA-N
MW507.88 g/mol
LogP4.96
Rot. Bonds6

About 6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-fluoro-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide

6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-fluoro-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide (PubChem CID 58734239) has the molecular formula C22H13ClF3N3O4S and a molecular weight of 507.88 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-fluoro-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-fluoro-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide
PubChem CID58734239
Molecular FormulaC22H13ClF3N3O4S
Molecular Weight507.88 g/mol
Exact Mass507.03
IUPAC Name6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-fluoro-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccon1)c1cnc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C22H13ClF3N3O4S/c23-13-1-4-15(5-2-13)34(31,32)21(16-10-14(24)3-6-17(16)25)20-18(26)9-12(11-27-20)22(30)28-19-7-8-33-29-19/h1-11,21H,(H,28,29,30)
InChIKeySVUOHKCLALYSEH-UHFFFAOYSA-N
XLogP4.96
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.88
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-fluoro-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-fluoro-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide (CID 58734239) is 6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-fluoro-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-fluoro-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-fluoro-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide is O=C(Nc1ccon1)c1cnc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-fluoro-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide?
The InChIKey is SVUOHKCLALYSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF3N3O4S/c23-13-1-4-15(5-2-13)34(31,32)21(16-10-14(24)3-6-17(16)25)20-18(26)9-12(11-27-20)22(30)28-19-7-8-33-29-19/h1-11,21H,(H,28,29,30).
What are the key properties of 6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-fluoro-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide?
6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-fluoro-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide has a molecular weight of 507.88 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-fluoro-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 58734239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).