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

C23H23FN4O5S2 — CID 10289373

IUPAC6-amino-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc(N)nc3)C2=O)c(F)c1
InChIInChI=1S/C23H23FN4O5S2/c1-34(30,31)21-7-3-2-5-17(21)15-8-10-20(18(24)13-15)28-12-4-6-19(23(28)29)27-35(32,33)16-9-11-22(25)26-14-16/h2-3,5,7-11,13-14,19,27H,4,6,12H2,1H3,(H2,25,26)
InChIKeySLORRXNDFAMHJD-UHFFFAOYSA-N
MW518.59 g/mol
LogP2.35
Rot. Bonds6

About 6-amino-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide

6-amino-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide (PubChem CID 10289373) has the molecular formula C23H23FN4O5S2 and a molecular weight of 518.59 g/mol. Its IUPAC name is 6-amino-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
PubChem CID10289373
Molecular FormulaC23H23FN4O5S2
Molecular Weight518.59 g/mol
Exact Mass518.11
IUPAC Name6-amino-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc(N)nc3)C2=O)c(F)c1
InChIInChI=1S/C23H23FN4O5S2/c1-34(30,31)21-7-3-2-5-17(21)15-8-10-20(18(24)13-15)28-12-4-6-19(23(28)29)27-35(32,33)16-9-11-22(25)26-14-16/h2-3,5,7-11,13-14,19,27H,4,6,12H2,1H3,(H2,25,26)
InChIKeySLORRXNDFAMHJD-UHFFFAOYSA-N
XLogP2.35
TPSA139.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.59
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide (CID 10289373) is 6-amino-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-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)c3ccc(N)nc3)C2=O)c(F)c1.
What is the InChIKey of 6-amino-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide?
The InChIKey is SLORRXNDFAMHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O5S2/c1-34(30,31)21-7-3-2-5-17(21)15-8-10-20(18(24)13-15)28-12-4-6-19(23(28)29)27-35(32,33)16-9-11-22(25)26-14-16/h2-3,5,7-11,13-14,19,27H,4,6,12H2,1H3,(H2,25,26).
What are the key properties of 6-amino-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide?
6-amino-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide has a molecular weight of 518.59 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 10289373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).