2-bromo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzenesulfonamide

C12H9BrN4O2S — CID 166330325

IUPAC2-bromo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cnn2cccnc12)c1ccccc1Br
InChIInChI=1S/C12H9BrN4O2S/c13-9-4-1-2-5-11(9)20(18,19)16-10-8-15-17-7-3-6-14-12(10)17/h1-8,16H
InChIKeyVNUPNNHPKXVHPH-UHFFFAOYSA-N
MW353.20 g/mol
LogP2.29
Rot. Bonds3

About 2-bromo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzenesulfonamide

2-bromo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzenesulfonamide (PubChem CID 166330325) has the molecular formula C12H9BrN4O2S and a molecular weight of 353.20 g/mol. Its IUPAC name is 2-bromo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzenesulfonamide
PubChem CID166330325
Molecular FormulaC12H9BrN4O2S
Molecular Weight353.20 g/mol
Exact Mass351.96
IUPAC Name2-bromo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cnn2cccnc12)c1ccccc1Br
InChIInChI=1S/C12H9BrN4O2S/c13-9-4-1-2-5-11(9)20(18,19)16-10-8-15-17-7-3-6-14-12(10)17/h1-8,16H
InChIKeyVNUPNNHPKXVHPH-UHFFFAOYSA-N
XLogP2.29
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-4-methyl-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide
CID 166424787
2,6-dichloro-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide
CID 166424789
2-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]benzenesulfonamide
CID 55700070
N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 150445744
2-bromo-N-(2-ethylphenyl)benzenesulfonamide
CID 26949668
2-[(2-bromophenyl)sulfonylamino]benzamide
CID 17391161
2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide
CID 114294156
2,4,6-tribromo-N-pyrazolo[1,5-a]pyridin-3-ylbenzenesulfonamide
CID 166387264
2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704
2-bromo-N-(2,6-difluoro-3-pyridinyl)benzenesulfonamide
CID 103098234
2-bromo-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122290773
N-(2-bromophenyl)-2-chlorobenzenesulfonamide
CID 4816661

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzenesulfonamide (CID 166330325) is 2-bromo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzenesulfonamide is O=S(=O)(Nc1cnn2cccnc12)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzenesulfonamide?
The InChIKey is VNUPNNHPKXVHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O2S/c13-9-4-1-2-5-11(9)20(18,19)16-10-8-15-17-7-3-6-14-12(10)17/h1-8,16H.
What are the key properties of 2-bromo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzenesulfonamide?
2-bromo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzenesulfonamide has a molecular weight of 353.20 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 166330325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).