2,4,6-tribromo-N-pyrazolo[1,5-a]pyridin-3-ylbenzenesulfonamide

C13H8Br3N3O2S — CID 166387264

IUPAC2,4,6-tribromo-N-pyrazolo[1,5-a]pyridin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cnn2ccccc12)c1c(Br)cc(Br)cc1Br
InChIInChI=1S/C13H8Br3N3O2S/c14-8-5-9(15)13(10(16)6-8)22(20,21)18-11-7-17-19-4-2-1-3-12(11)19/h1-7,18H
InChIKeyNMGAKDVOACPCTO-UHFFFAOYSA-N
MW510.01 g/mol
LogP4.42
Rot. Bonds3

About 2,4,6-tribromo-N-pyrazolo[1,5-a]pyridin-3-ylbenzenesulfonamide

2,4,6-tribromo-N-pyrazolo[1,5-a]pyridin-3-ylbenzenesulfonamide (PubChem CID 166387264) has the molecular formula C13H8Br3N3O2S and a molecular weight of 510.01 g/mol. Its IUPAC name is 2,4,6-tribromo-N-pyrazolo[1,5-a]pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,4,6-tribromo-N-pyrazolo[1,5-a]pyridin-3-ylbenzenesulfonamide
PubChem CID166387264
Molecular FormulaC13H8Br3N3O2S
Molecular Weight510.01 g/mol
Exact Mass506.79
IUPAC Name2,4,6-tribromo-N-pyrazolo[1,5-a]pyridin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cnn2ccccc12)c1c(Br)cc(Br)cc1Br
InChIInChI=1S/C13H8Br3N3O2S/c14-8-5-9(15)13(10(16)6-8)22(20,21)18-11-7-17-19-4-2-1-3-12(11)19/h1-7,18H
InChIKeyNMGAKDVOACPCTO-UHFFFAOYSA-N
XLogP4.42
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.01
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethoxy)-N-pyrazolo[1,5-a]pyridin-3-ylethanesulfonamide
CID 126823944
2-bromo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzenesulfonamide
CID 166330325
1-(4-bromophenyl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione
CID 103119106
3-bromopyrazolo[1,5-a]pyridine;1-bromopyrrolidine-2,5-dione
CID 159601525
2,4,6-tribromo-N-methylbenzenesulfonamide
CID 130548849
N-pyrazolo[1,5-a]pyridin-3-ylmorpholin-4-amine
CID 67250767
2-bromo-5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 81270312
3-chloropyrazolo[1,5-a]pyridine
CID 91100935
4-amino-2,6-dibromo-N-(4-bromo-2-chlorophenyl)benzenesulfonamide
CID 43258925
6-bromo-4-methyl-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide
CID 166424787
2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 107624697
2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide
CID 60640704

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-pyrazolo[1,5-a]pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 2,4,6-tribromo-N-pyrazolo[1,5-a]pyridin-3-ylbenzenesulfonamide (CID 166387264) is 2,4,6-tribromo-N-pyrazolo[1,5-a]pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2,4,6-tribromo-N-pyrazolo[1,5-a]pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 2,4,6-tribromo-N-pyrazolo[1,5-a]pyridin-3-ylbenzenesulfonamide is O=S(=O)(Nc1cnn2ccccc12)c1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2,4,6-tribromo-N-pyrazolo[1,5-a]pyridin-3-ylbenzenesulfonamide?
The InChIKey is NMGAKDVOACPCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br3N3O2S/c14-8-5-9(15)13(10(16)6-8)22(20,21)18-11-7-17-19-4-2-1-3-12(11)19/h1-7,18H.
What are the key properties of 2,4,6-tribromo-N-pyrazolo[1,5-a]pyridin-3-ylbenzenesulfonamide?
2,4,6-tribromo-N-pyrazolo[1,5-a]pyridin-3-ylbenzenesulfonamide has a molecular weight of 510.01 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-pyrazolo[1,5-a]pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 166387264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).