2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide

C23H22FN3O5S2 — CID 22313492

IUPAC2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(c3ncccc3S(N)(=O)=O)C2=O)c(F)c1
InChIInChI=1S/C23H22FN3O5S2/c1-33(29,30)20-8-3-2-6-16(20)15-10-11-19(18(24)14-15)27-13-5-7-17(23(27)28)22-21(34(25,31)32)9-4-12-26-22/h2-4,6,8-12,14,17H,5,7,13H2,1H3,(H2,25,31,32)
InChIKeyIDWYBXXCADYIPS-UHFFFAOYSA-N
MW503.58 g/mol
LogP2.85
Rot. Bonds5

About 2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide

2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide (PubChem CID 22313492) has the molecular formula C23H22FN3O5S2 and a molecular weight of 503.58 g/mol. Its IUPAC name is 2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
PubChem CID22313492
Molecular FormulaC23H22FN3O5S2
Molecular Weight503.58 g/mol
Exact Mass503.10
IUPAC Name2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(c3ncccc3S(N)(=O)=O)C2=O)c(F)c1
InChIInChI=1S/C23H22FN3O5S2/c1-33(29,30)20-8-3-2-6-16(20)15-10-11-19(18(24)14-15)27-13-5-7-17(23(27)28)22-21(34(25,31)32)9-4-12-26-22/h2-4,6,8-12,14,17H,5,7,13H2,1H3,(H2,25,31,32)
InChIKeyIDWYBXXCADYIPS-UHFFFAOYSA-N
XLogP2.85
TPSA127.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide?
The IUPAC name of 2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide (CID 22313492) is 2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for 2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide is CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(c3ncccc3S(N)(=O)=O)C2=O)c(F)c1.
What is the InChIKey of 2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide?
The InChIKey is IDWYBXXCADYIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O5S2/c1-33(29,30)20-8-3-2-6-16(20)15-10-11-19(18(24)14-15)27-13-5-7-17(23(27)28)22-21(34(25,31)32)9-4-12-26-22/h2-4,6,8-12,14,17H,5,7,13H2,1H3,(H2,25,31,32).
What are the key properties of 2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide?
2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide has a molecular weight of 503.58 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 22313492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).