N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(5-fluoro-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide

C23H20ClFN4O3S2 — CID 155287730

About N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(5-fluoro-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(5-fluoro-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 155287730) has the molecular formula C23H20ClFN4O3S2 and a molecular weight of 519.02 g/mol. Its IUPAC name is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(5-fluoro-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(5-fluoro-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 155287730
• Molecular Formula: C23H20ClFN4O3S2
• Molecular Weight: 519.02 g/mol
• Exact Mass: 518.06
• IUPAC Name: N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(5-fluoro-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc3cc(-c4ccc(F)cn4)cnc3s2)ccc1Cl
• InChI: InChI=1S/C23H20ClFN4O3S2/c1-3-29(4-2)34(31,32)21-11-17(6-7-18(21)24)28-22(30)20-10-14-9-15(12-27-23(14)33-20)19-8-5-16(25)13-26-19/h5-13H,3-4H2,1-2H3,(H,28,30)
• InChIKey: AJLFMAZCPJFVNR-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 92.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.02
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(5-fluoro-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(5-fluoro-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide (CID 155287730) is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(5-fluoro-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(5-fluoro-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(5-fluoro-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc3cc(-c4ccc(F)cn4)cnc3s2)ccc1Cl.

What is the InChIKey of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(5-fluoro-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is AJLFMAZCPJFVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4O3S2/c1-3-29(4-2)34(31,32)21-11-17(6-7-18(21)24)28-22(30)20-10-14-9-15(12-27-23(14)33-20)19-8-5-16(25)13-26-19/h5-13H,3-4H2,1-2H3,(H,28,30).

What are the key properties of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(5-fluoro-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide?

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(5-fluoro-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 519.02 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(5-fluoro-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155287730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).