N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide

C8H6BrClN4O2S — CID 105055698

IUPACN-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cnc(Cl)c(Br)c1)c1cn[nH]c1
InChIInChI=1S/C8H6BrClN4O2S/c9-7-1-5(2-11-8(7)10)14-17(15,16)6-3-12-13-4-6/h1-4,14H,(H,12,13)
InChIKeyGJCCADDYAWEPKJ-UHFFFAOYSA-N
MW337.59 g/mol
LogP2.02
Rot. Bonds3

About N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide

N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide (PubChem CID 105055698) has the molecular formula C8H6BrClN4O2S and a molecular weight of 337.59 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide
PubChem CID105055698
Molecular FormulaC8H6BrClN4O2S
Molecular Weight337.59 g/mol
Exact Mass335.91
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cnc(Cl)c(Br)c1)c1cn[nH]c1
InChIInChI=1S/C8H6BrClN4O2S/c9-7-1-5(2-11-8(7)10)14-17(15,16)6-3-12-13-4-6/h1-4,14H,(H,12,13)
InChIKeyGJCCADDYAWEPKJ-UHFFFAOYSA-N
XLogP2.02
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.59
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide
CID 104826709
N-(6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 78945043
N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide
CID 82861812
N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 115663189
4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 105055682
N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 63998008
N-(2-bromo-5-chlorophenyl)-1H-pyrazole-4-sulfonamide
CID 81274575
N-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 104826704
N-(5-bromo-6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 104826712
5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide
CID 4730144
5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide
CID 4729992
N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 105055687

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide (CID 105055698) is N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(Nc1cnc(Cl)c(Br)c1)c1cn[nH]c1.
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is GJCCADDYAWEPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN4O2S/c9-7-1-5(2-11-8(7)10)14-17(15,16)6-3-12-13-4-6/h1-4,14H,(H,12,13).
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide?
N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 337.59 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 105055698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).