N-(5-bromo-4-oxo-1H-pyridin-3-yl)-3-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide

C12H9BrClN5O3S — CID 167876889

IUPACN-(5-bromo-4-oxo-1H-pyridin-3-yl)-3-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide
SMILESCc1nn2cc(S(=O)(=O)Nc3c[nH]cc(Br)c3=O)cnc2c1Cl
InChIInChI=1S/C12H9BrClN5O3S/c1-6-10(14)12-16-2-7(5-19(12)17-6)23(21,22)18-9-4-15-3-8(13)11(9)20/h2-5,18H,1H3,(H,15,20)
InChIKeyGWHDWQCJYLEOQF-UHFFFAOYSA-N
MW418.66 g/mol
LogP1.94
Rot. Bonds3

About N-(5-bromo-4-oxo-1H-pyridin-3-yl)-3-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide

N-(5-bromo-4-oxo-1H-pyridin-3-yl)-3-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide (PubChem CID 167876889) has the molecular formula C12H9BrClN5O3S and a molecular weight of 418.66 g/mol. Its IUPAC name is N-(5-bromo-4-oxo-1H-pyridin-3-yl)-3-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-oxo-1H-pyridin-3-yl)-3-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide
PubChem CID167876889
Molecular FormulaC12H9BrClN5O3S
Molecular Weight418.66 g/mol
Exact Mass416.93
IUPAC NameN-(5-bromo-4-oxo-1H-pyridin-3-yl)-3-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide
SMILESCc1nn2cc(S(=O)(=O)Nc3c[nH]cc(Br)c3=O)cnc2c1Cl
InChIInChI=1S/C12H9BrClN5O3S/c1-6-10(14)12-16-2-7(5-19(12)17-6)23(21,22)18-9-4-15-3-8(13)11(9)20/h2-5,18H,1H3,(H,15,20)
InChIKeyGWHDWQCJYLEOQF-UHFFFAOYSA-N
XLogP1.94
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.66
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-oxo-1H-pyridin-3-yl)-3-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide?
The IUPAC name of N-(5-bromo-4-oxo-1H-pyridin-3-yl)-3-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide (CID 167876889) is N-(5-bromo-4-oxo-1H-pyridin-3-yl)-3-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for N-(5-bromo-4-oxo-1H-pyridin-3-yl)-3-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide?
The canonical SMILES for N-(5-bromo-4-oxo-1H-pyridin-3-yl)-3-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide is Cc1nn2cc(S(=O)(=O)Nc3c[nH]cc(Br)c3=O)cnc2c1Cl.
What is the InChIKey of N-(5-bromo-4-oxo-1H-pyridin-3-yl)-3-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide?
The InChIKey is GWHDWQCJYLEOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN5O3S/c1-6-10(14)12-16-2-7(5-19(12)17-6)23(21,22)18-9-4-15-3-8(13)11(9)20/h2-5,18H,1H3,(H,15,20).
What are the key properties of N-(5-bromo-4-oxo-1H-pyridin-3-yl)-3-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide?
N-(5-bromo-4-oxo-1H-pyridin-3-yl)-3-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide has a molecular weight of 418.66 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-oxo-1H-pyridin-3-yl)-3-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 167876889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).