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

C24H23FN2O5S2 — CID 10217822

IUPACN-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccccc3)C2=O)c(F)c1
InChIInChI=1S/C24H23FN2O5S2/c1-33(29,30)23-12-6-5-10-19(23)17-13-14-22(20(25)16-17)27-15-7-11-21(24(27)28)26-34(31,32)18-8-3-2-4-9-18/h2-6,8-10,12-14,16,21,26H,7,11,15H2,1H3
InChIKeyGLZXNDRAYAIRHI-UHFFFAOYSA-N
MW502.59 g/mol
LogP3.37
Rot. Bonds6

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

N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide (PubChem CID 10217822) has the molecular formula C24H23FN2O5S2 and a molecular weight of 502.59 g/mol. Its IUPAC name is N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide
PubChem CID10217822
Molecular FormulaC24H23FN2O5S2
Molecular Weight502.59 g/mol
Exact Mass502.10
IUPAC NameN-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccccc3)C2=O)c(F)c1
InChIInChI=1S/C24H23FN2O5S2/c1-33(29,30)23-12-6-5-10-19(23)17-13-14-22(20(25)16-17)27-15-7-11-21(24(27)28)26-34(31,32)18-8-3-2-4-9-18/h2-6,8-10,12-14,16,21,26H,7,11,15H2,1H3
InChIKeyGLZXNDRAYAIRHI-UHFFFAOYSA-N
XLogP3.37
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.59
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide?
The IUPAC name of N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide (CID 10217822) is N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide is CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccccc3)C2=O)c(F)c1.
What is the InChIKey of N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide?
The InChIKey is GLZXNDRAYAIRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O5S2/c1-33(29,30)23-12-6-5-10-19(23)17-13-14-22(20(25)16-17)27-15-7-11-21(24(27)28)26-34(31,32)18-8-3-2-4-9-18/h2-6,8-10,12-14,16,21,26H,7,11,15H2,1H3.
What are the key properties of N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide?
N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide has a molecular weight of 502.59 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 10217822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).