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

C23H22FN3O5S2 — CID 10311346

IUPACN-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3cccnc3)C2=O)c(F)c1
InChIInChI=1S/C23H22FN3O5S2/c1-33(29,30)22-9-3-2-7-18(22)16-10-11-21(19(24)14-16)27-13-5-8-20(23(27)28)26-34(31,32)17-6-4-12-25-15-17/h2-4,6-7,9-12,14-15,20,26H,5,8,13H2,1H3
InChIKeyPZOMVBSCQZEKJW-UHFFFAOYSA-N
MW503.58 g/mol
LogP2.77
Rot. Bonds6

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

N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide (PubChem CID 10311346) has the molecular formula C23H22FN3O5S2 and a molecular weight of 503.58 g/mol. Its IUPAC name is N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
PubChem CID10311346
Molecular FormulaC23H22FN3O5S2
Molecular Weight503.58 g/mol
Exact Mass503.10
IUPAC NameN-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3cccnc3)C2=O)c(F)c1
InChIInChI=1S/C23H22FN3O5S2/c1-33(29,30)22-9-3-2-7-18(22)16-10-11-21(19(24)14-16)27-13-5-8-20(23(27)28)26-34(31,32)17-6-4-12-25-15-17/h2-4,6-7,9-12,14-15,20,26H,5,8,13H2,1H3
InChIKeyPZOMVBSCQZEKJW-UHFFFAOYSA-N
XLogP2.77
TPSA113.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]pyridine-3-sulfonamide?
The IUPAC name of N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide (CID 10311346) is N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide is CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3cccnc3)C2=O)c(F)c1.
What is the InChIKey of N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide?
The InChIKey is PZOMVBSCQZEKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O5S2/c1-33(29,30)22-9-3-2-7-18(22)16-10-11-21(19(24)14-16)27-13-5-8-20(23(27)28)26-34(31,32)17-6-4-12-25-15-17/h2-4,6-7,9-12,14-15,20,26H,5,8,13H2,1H3.
What are the key properties of N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide?
N-[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 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 10311346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).