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

C24H22F2N2O5S2 — CID 10128550

IUPAC4-fluoro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc(F)cc3)C2=O)c(F)c1
InChIInChI=1S/C24H22F2N2O5S2/c1-34(30,31)23-7-3-2-5-19(23)16-8-13-22(20(26)15-16)28-14-4-6-21(24(28)29)27-35(32,33)18-11-9-17(25)10-12-18/h2-3,5,7-13,15,21,27H,4,6,14H2,1H3
InChIKeyGSDDSSAYDMSXOY-UHFFFAOYSA-N
MW520.58 g/mol
LogP3.51
Rot. Bonds6

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

4-fluoro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide (PubChem CID 10128550) has the molecular formula C24H22F2N2O5S2 and a molecular weight of 520.58 g/mol. Its IUPAC name is 4-fluoro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide
PubChem CID10128550
Molecular FormulaC24H22F2N2O5S2
Molecular Weight520.58 g/mol
Exact Mass520.09
IUPAC Name4-fluoro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc(F)cc3)C2=O)c(F)c1
InChIInChI=1S/C24H22F2N2O5S2/c1-34(30,31)23-7-3-2-5-19(23)16-8-13-22(20(26)15-16)28-14-4-6-21(24(28)29)27-35(32,33)18-11-9-17(25)10-12-18/h2-3,5,7-13,15,21,27H,4,6,14H2,1H3
InChIKeyGSDDSSAYDMSXOY-UHFFFAOYSA-N
XLogP3.51
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.58
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide (CID 10128550) is 4-fluoro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide is CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc(F)cc3)C2=O)c(F)c1.
What is the InChIKey of 4-fluoro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide?
The InChIKey is GSDDSSAYDMSXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O5S2/c1-34(30,31)23-7-3-2-5-19(23)16-8-13-22(20(26)15-16)28-14-4-6-21(24(28)29)27-35(32,33)18-11-9-17(25)10-12-18/h2-3,5,7-13,15,21,27H,4,6,14H2,1H3.
What are the key properties of 4-fluoro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide?
4-fluoro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide has a molecular weight of 520.58 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 10128550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).