5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide

C12H9BrCl2N2O2S — CID 107625055

IUPAC5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(Cl)c(NS(=O)(=O)c2cc(Br)cnc2Cl)c1
InChIInChI=1S/C12H9BrCl2N2O2S/c1-7-2-3-9(14)10(4-7)17-20(18,19)11-5-8(13)6-16-12(11)15/h2-6,17H,1H3
InChIKeyGQLIMYHTXUNPHW-UHFFFAOYSA-N
MW396.09 g/mol
LogP4.26
Rot. Bonds3

About 5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide

5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide (PubChem CID 107625055) has the molecular formula C12H9BrCl2N2O2S and a molecular weight of 396.09 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide
PubChem CID107625055
Molecular FormulaC12H9BrCl2N2O2S
Molecular Weight396.09 g/mol
Exact Mass393.89
IUPAC Name5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(Cl)c(NS(=O)(=O)c2cc(Br)cnc2Cl)c1
InChIInChI=1S/C12H9BrCl2N2O2S/c1-7-2-3-9(14)10(4-7)17-20(18,19)11-5-8(13)6-16-12(11)15/h2-6,17H,1H3
InChIKeyGQLIMYHTXUNPHW-UHFFFAOYSA-N
XLogP4.26
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.09
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide (CID 107625055) is 5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide is Cc1ccc(Cl)c(NS(=O)(=O)c2cc(Br)cnc2Cl)c1.
What is the InChIKey of 5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide?
The InChIKey is GQLIMYHTXUNPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2O2S/c1-7-2-3-9(14)10(4-7)17-20(18,19)11-5-8(13)6-16-12(11)15/h2-6,17H,1H3.
What are the key properties of 5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide has a molecular weight of 396.09 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 107625055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).