6-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide

C15H14N4O3S — CID 167813608

IUPAC6-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
SMILESCc1nn2cc(-c3cccc4c3OCC4)cnc2c1S(N)(=O)=O
InChIInChI=1S/C15H14N4O3S/c1-9-14(23(16,20)21)15-17-7-11(8-19(15)18-9)12-4-2-3-10-5-6-22-13(10)12/h2-4,7-8H,5-6H2,1H3,(H2,16,20,21)
InChIKeyICUZMVBYBZEORM-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.29
Rot. Bonds2

About 6-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide

6-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide (PubChem CID 167813608) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 6-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide.

Molecular Properties

Compound Name6-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
PubChem CID167813608
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name6-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
SMILESCc1nn2cc(-c3cccc4c3OCC4)cnc2c1S(N)(=O)=O
InChIInChI=1S/C15H14N4O3S/c1-9-14(23(16,20)21)15-17-7-11(8-19(15)18-9)12-4-2-3-10-5-6-22-13(10)12/h2-4,7-8H,5-6H2,1H3,(H2,16,20,21)
InChIKeyICUZMVBYBZEORM-UHFFFAOYSA-N
XLogP1.29
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The IUPAC name of 6-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide (CID 167813608) is 6-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide.
What is the SMILES notation for 6-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The canonical SMILES for 6-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide is Cc1nn2cc(-c3cccc4c3OCC4)cnc2c1S(N)(=O)=O.
What is the InChIKey of 6-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The InChIKey is ICUZMVBYBZEORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-9-14(23(16,20)21)15-17-7-11(8-19(15)18-9)12-4-2-3-10-5-6-22-13(10)12/h2-4,7-8H,5-6H2,1H3,(H2,16,20,21).
What are the key properties of 6-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
6-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide has a molecular weight of 330.37 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide is sourced from PubChem (CID 167813608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).