2,6-dichloro-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide

C11H7Cl2N5O2S — CID 166424789

IUPAC2,6-dichloro-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cnn2cccnc12)c1ccc(Cl)nc1Cl
InChIInChI=1S/C11H7Cl2N5O2S/c12-9-3-2-8(10(13)16-9)21(19,20)17-7-6-15-18-5-1-4-14-11(7)18/h1-6,17H
InChIKeyPLLFWWKLRXPJAP-UHFFFAOYSA-N
MW344.18 g/mol
LogP2.23
Rot. Bonds3

About 2,6-dichloro-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide

2,6-dichloro-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide (PubChem CID 166424789) has the molecular formula C11H7Cl2N5O2S and a molecular weight of 344.18 g/mol. Its IUPAC name is 2,6-dichloro-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide
PubChem CID166424789
Molecular FormulaC11H7Cl2N5O2S
Molecular Weight344.18 g/mol
Exact Mass342.97
IUPAC Name2,6-dichloro-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cnn2cccnc12)c1ccc(Cl)nc1Cl
InChIInChI=1S/C11H7Cl2N5O2S/c12-9-3-2-8(10(13)16-9)21(19,20)17-7-6-15-18-5-1-4-14-11(7)18/h1-6,17H
InChIKeyPLLFWWKLRXPJAP-UHFFFAOYSA-N
XLogP2.23
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzenesulfonamide
CID 166330325
6-bromo-4-methyl-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide
CID 166424787
N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 150445744
2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide
CID 24621400
2-chloro-N-(2-hydroxyphenyl)pyridine-3-sulfonamide
CID 113220656
6-chloro-N-quinolin-8-yl-2-(trifluoromethyl)pyridine-3-sulfonamide
CID 171466436
5-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide
CID 53190702
N-(2-chloro-3-pyridinyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 103604457
2-chloro-N-pyridin-2-ylpyridine-3-sulfonamide
CID 43415000
N-(2-acetylphenyl)-2-chloropyridine-3-sulfonamide
CID 24621346
2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 51133066
2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide
CID 62816422

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide?
The IUPAC name of 2,6-dichloro-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide (CID 166424789) is 2,6-dichloro-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide.
What is the SMILES notation for 2,6-dichloro-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide?
The canonical SMILES for 2,6-dichloro-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide is O=S(=O)(Nc1cnn2cccnc12)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide?
The InChIKey is PLLFWWKLRXPJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N5O2S/c12-9-3-2-8(10(13)16-9)21(19,20)17-7-6-15-18-5-1-4-14-11(7)18/h1-6,17H.
What are the key properties of 2,6-dichloro-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide?
2,6-dichloro-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide has a molecular weight of 344.18 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide is sourced from PubChem (CID 166424789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).