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

C24H23FN2O5S2 — CID 22313503

IUPAC2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(c3ccccc3S(N)(=O)=O)C2=O)c(F)c1
InChIInChI=1S/C24H23FN2O5S2/c1-33(29,30)22-10-4-2-7-17(22)16-12-13-21(20(25)15-16)27-14-6-9-19(24(27)28)18-8-3-5-11-23(18)34(26,31)32/h2-5,7-8,10-13,15,19H,6,9,14H2,1H3,(H2,26,31,32)
InChIKeyCGJQFCCSXVARQB-UHFFFAOYSA-N
MW502.59 g/mol
LogP3.45
Rot. Bonds5

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

2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide (PubChem CID 22313503) has the molecular formula C24H23FN2O5S2 and a molecular weight of 502.59 g/mol. Its IUPAC name is 2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide
PubChem CID22313503
Molecular FormulaC24H23FN2O5S2
Molecular Weight502.59 g/mol
Exact Mass502.10
IUPAC Name2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(c3ccccc3S(N)(=O)=O)C2=O)c(F)c1
InChIInChI=1S/C24H23FN2O5S2/c1-33(29,30)22-10-4-2-7-17(22)16-12-13-21(20(25)15-16)27-14-6-9-19(24(27)28)18-8-3-5-11-23(18)34(26,31)32/h2-5,7-8,10-13,15,19H,6,9,14H2,1H3,(H2,26,31,32)
InChIKeyCGJQFCCSXVARQB-UHFFFAOYSA-N
XLogP3.45
TPSA114.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.59
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]benzenesulfonamide?
The IUPAC name of 2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide (CID 22313503) is 2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide is CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(c3ccccc3S(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]benzenesulfonamide?
The InChIKey is CGJQFCCSXVARQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O5S2/c1-33(29,30)22-10-4-2-7-17(22)16-12-13-21(20(25)15-16)27-14-6-9-19(24(27)28)18-8-3-5-11-23(18)34(26,31)32/h2-5,7-8,10-13,15,19H,6,9,14H2,1H3,(H2,26,31,32).
What are the key properties of 2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide?
2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide has a molecular weight of 502.59 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 22313503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).