6-chloro-N-(3,5-dibromopyrazin-2-yl)pyridine-3-sulfonamide

C9H5Br2ClN4O2S — CID 114074106

IUPAC6-chloro-N-(3,5-dibromopyrazin-2-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ncc(Br)nc1Br)c1ccc(Cl)nc1
InChIInChI=1S/C9H5Br2ClN4O2S/c10-6-4-14-9(8(11)15-6)16-19(17,18)5-1-2-7(12)13-3-5/h1-4H,(H,14,16)
InChIKeyNYCMWJUGPIMXSX-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.85
Rot. Bonds3

About 6-chloro-N-(3,5-dibromopyrazin-2-yl)pyridine-3-sulfonamide

6-chloro-N-(3,5-dibromopyrazin-2-yl)pyridine-3-sulfonamide (PubChem CID 114074106) has the molecular formula C9H5Br2ClN4O2S and a molecular weight of 428.49 g/mol. Its IUPAC name is 6-chloro-N-(3,5-dibromopyrazin-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3,5-dibromopyrazin-2-yl)pyridine-3-sulfonamide
PubChem CID114074106
Molecular FormulaC9H5Br2ClN4O2S
Molecular Weight428.49 g/mol
Exact Mass425.82
IUPAC Name6-chloro-N-(3,5-dibromopyrazin-2-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ncc(Br)nc1Br)c1ccc(Cl)nc1
InChIInChI=1S/C9H5Br2ClN4O2S/c10-6-4-14-9(8(11)15-6)16-19(17,18)5-1-2-7(12)13-3-5/h1-4H,(H,14,16)
InChIKeyNYCMWJUGPIMXSX-UHFFFAOYSA-N
XLogP2.85
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,5-dibromopyrazin-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(3,5-dibromopyrazin-2-yl)pyridine-3-sulfonamide (CID 114074106) is 6-chloro-N-(3,5-dibromopyrazin-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3,5-dibromopyrazin-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(3,5-dibromopyrazin-2-yl)pyridine-3-sulfonamide is O=S(=O)(Nc1ncc(Br)nc1Br)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(3,5-dibromopyrazin-2-yl)pyridine-3-sulfonamide?
The InChIKey is NYCMWJUGPIMXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2ClN4O2S/c10-6-4-14-9(8(11)15-6)16-19(17,18)5-1-2-7(12)13-3-5/h1-4H,(H,14,16).
What are the key properties of 6-chloro-N-(3,5-dibromopyrazin-2-yl)pyridine-3-sulfonamide?
6-chloro-N-(3,5-dibromopyrazin-2-yl)pyridine-3-sulfonamide has a molecular weight of 428.49 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,5-dibromopyrazin-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 114074106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).