4-bromo-N-pyrazin-2-ylbenzenesulfonamide

C10H8BrN3O2S — CID 22772873

IUPAC4-bromo-N-pyrazin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cnccn1)c1ccc(Br)cc1
InChIInChI=1S/C10H8BrN3O2S/c11-8-1-3-9(4-2-8)17(15,16)14-10-7-12-5-6-13-10/h1-7H,(H,13,14)
InChIKeyOWJJJXPHFBQKNK-UHFFFAOYSA-N
MW314.16 g/mol
LogP2.04
Rot. Bonds3

About 4-bromo-N-pyrazin-2-ylbenzenesulfonamide

4-bromo-N-pyrazin-2-ylbenzenesulfonamide (PubChem CID 22772873) has the molecular formula C10H8BrN3O2S and a molecular weight of 314.16 g/mol. Its IUPAC name is 4-bromo-N-pyrazin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-pyrazin-2-ylbenzenesulfonamide
PubChem CID22772873
Molecular FormulaC10H8BrN3O2S
Molecular Weight314.16 g/mol
Exact Mass312.95
IUPAC Name4-bromo-N-pyrazin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cnccn1)c1ccc(Br)cc1
InChIInChI=1S/C10H8BrN3O2S/c11-8-1-3-9(4-2-8)17(15,16)14-10-7-12-5-6-13-10/h1-7H,(H,13,14)
InChIKeyOWJJJXPHFBQKNK-UHFFFAOYSA-N
XLogP2.04
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-pyrazin-2-ylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-pyrazin-2-ylbenzenesulfonamide (CID 22772873) is 4-bromo-N-pyrazin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-pyrazin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-pyrazin-2-ylbenzenesulfonamide is O=S(=O)(Nc1cnccn1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-pyrazin-2-ylbenzenesulfonamide?
The InChIKey is OWJJJXPHFBQKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2S/c11-8-1-3-9(4-2-8)17(15,16)14-10-7-12-5-6-13-10/h1-7H,(H,13,14).
What are the key properties of 4-bromo-N-pyrazin-2-ylbenzenesulfonamide?
4-bromo-N-pyrazin-2-ylbenzenesulfonamide has a molecular weight of 314.16 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-pyrazin-2-ylbenzenesulfonamide is sourced from PubChem (CID 22772873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).