2,4-difluoro-N-[2-methyl-5-[5-(methylamino)-4-(pyridine-4-carboximidoyl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide

C23H19F2N5O2S2 — CID 145087488

About 2,4-difluoro-N-[2-methyl-5-[5-(methylamino)-4-(pyridine-4-carboximidoyl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[2-methyl-5-[5-(methylamino)-4-(pyridine-4-carboximidoyl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 145087488) has the molecular formula C23H19F2N5O2S2 and a molecular weight of 499.57 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methyl-5-[5-(methylamino)-4-(pyridine-4-carboximidoyl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,4-difluoro-N-[2-methyl-5-[5-(methylamino)-4-(pyridine-4-carboximidoyl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide
• PubChem CID: 145087488
• Molecular Formula: C23H19F2N5O2S2
• Molecular Weight: 499.57 g/mol
• Exact Mass: 499.09
• IUPAC Name: 2,4-difluoro-N-[2-methyl-5-[5-(methylamino)-4-(pyridine-4-carboximidoyl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide
• SMILES: [H]/N=C(\c1ccncc1)c1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(F)cc3F)c2)sc1NC
• InChI: InChI=1S/C23H19F2N5O2S2/c1-13-19(30-34(31,32)21-4-3-16(24)10-18(21)25)9-15(12-29-13)20-11-17(23(27-2)33-20)22(26)14-5-7-28-8-6-14/h3-12,26-27,30H,1-2H3/b26-22+
• InChIKey: RVJQZNQYRZKSTK-XTCLZLMSSA-N
• XLogP: 5.05
• TPSA: 107.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.57
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methyl-5-[5-(methylamino)-4-(pyridine-4-carboximidoyl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide?

The IUPAC name of 2,4-difluoro-N-[2-methyl-5-[5-(methylamino)-4-(pyridine-4-carboximidoyl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide (CID 145087488) is 2,4-difluoro-N-[2-methyl-5-[5-(methylamino)-4-(pyridine-4-carboximidoyl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide.

What is the SMILES notation for 2,4-difluoro-N-[2-methyl-5-[5-(methylamino)-4-(pyridine-4-carboximidoyl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide?

The canonical SMILES for 2,4-difluoro-N-[2-methyl-5-[5-(methylamino)-4-(pyridine-4-carboximidoyl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide is [H]/N=C(\c1ccncc1)c1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(F)cc3F)c2)sc1NC.

What is the InChIKey of 2,4-difluoro-N-[2-methyl-5-[5-(methylamino)-4-(pyridine-4-carboximidoyl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide?

The InChIKey is RVJQZNQYRZKSTK-XTCLZLMSSA-N. The full InChI is InChI=1S/C23H19F2N5O2S2/c1-13-19(30-34(31,32)21-4-3-16(24)10-18(21)25)9-15(12-29-13)20-11-17(23(27-2)33-20)22(26)14-5-7-28-8-6-14/h3-12,26-27,30H,1-2H3/b26-22+.

What are the key properties of 2,4-difluoro-N-[2-methyl-5-[5-(methylamino)-4-(pyridine-4-carboximidoyl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide?

2,4-difluoro-N-[2-methyl-5-[5-(methylamino)-4-(pyridine-4-carboximidoyl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 499.57 g/mol, XLogP of 5.05, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-difluoro-N-[2-methyl-5-[5-(methylamino)-4-(pyridine-4-carboximidoyl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 145087488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).