N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-2-methyl-1,3-thiazole-5-sulfonamide

C24H17F2N3O3S2 — CID 171097829

About N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-2-methyl-1,3-thiazole-5-sulfonamide

N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 171097829) has the molecular formula C24H17F2N3O3S2 and a molecular weight of 497.55 g/mol. Its IUPAC name is N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

• Compound Name: N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
• PubChem CID: 171097829
• Molecular Formula: C24H17F2N3O3S2
• Molecular Weight: 497.55 g/mol
• Exact Mass: 497.07
• IUPAC Name: N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
• SMILES: Cc1ncc(S(=O)(=O)Nc2ccccc2-c2cc3c(cc2-c2ccc(F)cc2F)C(=O)NC3)s1
• InChI: InChI=1S/C24H17F2N3O3S2/c1-13-27-12-23(33-13)34(31,32)29-22-5-3-2-4-17(22)19-8-14-11-28-24(30)18(14)10-20(19)16-7-6-15(25)9-21(16)26/h2-10,12,29H,11H2,1H3,(H,28,30)
• InChIKey: QJHOQJGYNJAFMP-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 88.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.55
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-2-methyl-1,3-thiazole-5-sulfonamide?

The IUPAC name of N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-2-methyl-1,3-thiazole-5-sulfonamide (CID 171097829) is N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-2-methyl-1,3-thiazole-5-sulfonamide.

What is the SMILES notation for N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-2-methyl-1,3-thiazole-5-sulfonamide?

The canonical SMILES for N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2ccccc2-c2cc3c(cc2-c2ccc(F)cc2F)C(=O)NC3)s1.

What is the InChIKey of N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-2-methyl-1,3-thiazole-5-sulfonamide?

The InChIKey is QJHOQJGYNJAFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O3S2/c1-13-27-12-23(33-13)34(31,32)29-22-5-3-2-4-17(22)19-8-14-11-28-24(30)18(14)10-20(19)16-7-6-15(25)9-21(16)26/h2-10,12,29H,11H2,1H3,(H,28,30).

What are the key properties of N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-2-methyl-1,3-thiazole-5-sulfonamide?

N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 497.55 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 171097829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).