sodium (2,4-difluorophenyl)sulfonyl-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]azanide

C24H16F2N3NaO3S2 — CID 73211786

About sodium (2,4-difluorophenyl)sulfonyl-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]azanide

sodium (2,4-difluorophenyl)sulfonyl-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]azanide (PubChem CID 73211786) has the molecular formula C24H16F2N3NaO3S2 and a molecular weight of 519.53 g/mol. Its IUPAC name is sodium (2,4-difluorophenyl)sulfonyl-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]azanide.

Molecular Properties

• Compound Name: sodium (2,4-difluorophenyl)sulfonyl-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]azanide
• PubChem CID: 73211786
• Molecular Formula: C24H16F2N3NaO3S2
• Molecular Weight: 519.53 g/mol
• Exact Mass: 519.05
• IUPAC Name: sodium (2,4-difluorophenyl)sulfonyl-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]azanide
• SMILES: CN1Cc2cc(-c3ccc(-c4cncc([N-]S(=O)(=O)c5ccc(F)cc5F)c4)s3)ccc2C1=O.[Na+]
• InChI: InChI=1S/C24H16F2N3O3S2.Na/c1-29-13-16-8-14(2-4-19(16)24(29)30)21-5-6-22(33-21)15-9-18(12-27-11-15)28-34(31,32)23-7-3-17(25)10-20(23)26;/h2-12H,13H2,1H3;/q-1;+1
• InChIKey: IACLCONFVUKIQQ-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 81.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.53
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of sodium (2,4-difluorophenyl)sulfonyl-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]azanide?

The IUPAC name of sodium (2,4-difluorophenyl)sulfonyl-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]azanide (CID 73211786) is sodium (2,4-difluorophenyl)sulfonyl-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]azanide.

What is the SMILES notation for sodium (2,4-difluorophenyl)sulfonyl-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]azanide?

The canonical SMILES for sodium (2,4-difluorophenyl)sulfonyl-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]azanide is CN1Cc2cc(-c3ccc(-c4cncc([N-]S(=O)(=O)c5ccc(F)cc5F)c4)s3)ccc2C1=O.[Na+].

What is the InChIKey of sodium (2,4-difluorophenyl)sulfonyl-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]azanide?

The InChIKey is IACLCONFVUKIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N3O3S2.Na/c1-29-13-16-8-14(2-4-19(16)24(29)30)21-5-6-22(33-21)15-9-18(12-27-11-15)28-34(31,32)23-7-3-17(25)10-20(23)26;/h2-12H,13H2,1H3;/q-1;+1.

What are the key properties of sodium (2,4-difluorophenyl)sulfonyl-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]azanide?

sodium (2,4-difluorophenyl)sulfonyl-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]azanide has a molecular weight of 519.53 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for sodium (2,4-difluorophenyl)sulfonyl-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]azanide is sourced from PubChem (CID 73211786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).