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

C12H9BrClFN2O2S — CID 60779864

IUPAC5-bromo-2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H9BrClFN2O2S/c1-7-2-3-9(15)5-10(7)17-20(18,19)11-4-8(13)6-16-12(11)14/h2-6,17H,1H3
InChIKeyXNIZCMHPESAYJP-UHFFFAOYSA-N
MW379.64 g/mol
LogP3.75
Rot. Bonds3

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

5-bromo-2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide (PubChem CID 60779864) has the molecular formula C12H9BrClFN2O2S and a molecular weight of 379.64 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide
PubChem CID60779864
Molecular FormulaC12H9BrClFN2O2S
Molecular Weight379.64 g/mol
Exact Mass377.92
IUPAC Name5-bromo-2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H9BrClFN2O2S/c1-7-2-3-9(15)5-10(7)17-20(18,19)11-4-8(13)6-16-12(11)14/h2-6,17H,1H3
InChIKeyXNIZCMHPESAYJP-UHFFFAOYSA-N
XLogP3.75
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.64
LogP ≤ 53.75
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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Related Compounds

2-amino-5-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 62143669
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide
CID 62103004
5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide
CID 107625055
5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-sulfonamide
CID 60779896
N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610711
5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 61300253
5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide
CID 107573390
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyridine-3-sulfonamide
CID 66256091
5-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-sulfonamide
CID 61298510
N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115731782
5-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-sulfonamide
CID 107573401

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide (CID 60779864) is 5-bromo-2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide is Cc1ccc(F)cc1NS(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide?
The InChIKey is XNIZCMHPESAYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O2S/c1-7-2-3-9(15)5-10(7)17-20(18,19)11-4-8(13)6-16-12(11)14/h2-6,17H,1H3.
What are the key properties of 5-bromo-2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide has a molecular weight of 379.64 g/mol, XLogP of 3.75, 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-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 60779864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).