6-[3-(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide

C23H17F3N4O4S — CID 155193724

About 6-[3-(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide

6-[3-(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide (PubChem CID 155193724) has the molecular formula C23H17F3N4O4S and a molecular weight of 502.47 g/mol. Its IUPAC name is 6-[3-(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide
• PubChem CID: 155193724
• Molecular Formula: C23H17F3N4O4S
• Molecular Weight: 502.47 g/mol
• Exact Mass: 502.09
• IUPAC Name: 6-[3-(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide
• SMILES: CNC(=O)c1[nH]nc2c(F)c(-c3c(F)ccc(NS(=O)(=O)c4ccc5c(c4)OCC5)c3F)ccc12
• InChI: InChI=1S/C23H17F3N4O4S/c1-27-23(31)22-14-5-4-13(19(25)21(14)28-29-22)18-15(24)6-7-16(20(18)26)30-35(32,33)12-3-2-11-8-9-34-17(11)10-12/h2-7,10,30H,8-9H2,1H3,(H,27,31)(H,28,29)
• InChIKey: ZXDJETRGPJGGMY-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 113.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.47
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide?

The IUPAC name of 6-[3-(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide (CID 155193724) is 6-[3-(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide.

What is the SMILES notation for 6-[3-(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide?

The canonical SMILES for 6-[3-(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide is CNC(=O)c1[nH]nc2c(F)c(-c3c(F)ccc(NS(=O)(=O)c4ccc5c(c4)OCC5)c3F)ccc12.

What is the InChIKey of 6-[3-(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide?

The InChIKey is ZXDJETRGPJGGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O4S/c1-27-23(31)22-14-5-4-13(19(25)21(14)28-29-22)18-15(24)6-7-16(20(18)26)30-35(32,33)12-3-2-11-8-9-34-17(11)10-12/h2-7,10,30H,8-9H2,1H3,(H,27,31)(H,28,29).

What are the key properties of 6-[3-(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide?

6-[3-(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide has a molecular weight of 502.47 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide is sourced from PubChem (CID 155193724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).