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

C25H25FN2O6S2 — CID 10239546

IUPACN-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)cc1
InChIInChI=1S/C25H25FN2O6S2/c1-34-18-10-12-19(13-11-18)36(32,33)27-22-7-5-15-28(25(22)29)23-14-9-17(16-21(23)26)20-6-3-4-8-24(20)35(2,30)31/h3-4,6,8-14,16,22,27H,5,7,15H2,1-2H3
InChIKeyZNGOCHGZXJBAMM-UHFFFAOYSA-N
MW532.62 g/mol
LogP3.38
Rot. Bonds7

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

N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzenesulfonamide (PubChem CID 10239546) has the molecular formula C25H25FN2O6S2 and a molecular weight of 532.62 g/mol. Its IUPAC name is N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzenesulfonamide
PubChem CID10239546
Molecular FormulaC25H25FN2O6S2
Molecular Weight532.62 g/mol
Exact Mass532.11
IUPAC NameN-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)cc1
InChIInChI=1S/C25H25FN2O6S2/c1-34-18-10-12-19(13-11-18)36(32,33)27-22-7-5-15-28(25(22)29)23-14-9-17(16-21(23)26)20-6-3-4-8-24(20)35(2,30)31/h3-4,6,8-14,16,22,27H,5,7,15H2,1-2H3
InChIKeyZNGOCHGZXJBAMM-UHFFFAOYSA-N
XLogP3.38
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.62
LogP ≤ 53.38
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]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzenesulfonamide (CID 10239546) is N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)cc1.
What is the InChIKey of N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzenesulfonamide?
The InChIKey is ZNGOCHGZXJBAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O6S2/c1-34-18-10-12-19(13-11-18)36(32,33)27-22-7-5-15-28(25(22)29)23-14-9-17(16-21(23)26)20-6-3-4-8-24(20)35(2,30)31/h3-4,6,8-14,16,22,27H,5,7,15H2,1-2H3.
What are the key properties of N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzenesulfonamide?
N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzenesulfonamide has a molecular weight of 532.62 g/mol, XLogP of 3.38, 7 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]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 10239546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).