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

C13H9BrClN3O2S — CID 62103004

IUPAC5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(C#N)cc1NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C13H9BrClN3O2S/c1-8-2-3-9(6-16)4-11(8)18-21(19,20)12-5-10(14)7-17-13(12)15/h2-5,7,18H,1H3
InChIKeyJXWHAFFHIQUAKG-UHFFFAOYSA-N
MW386.66 g/mol
LogP3.48
Rot. Bonds3

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

5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide (PubChem CID 62103004) has the molecular formula C13H9BrClN3O2S and a molecular weight of 386.66 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide
PubChem CID62103004
Molecular FormulaC13H9BrClN3O2S
Molecular Weight386.66 g/mol
Exact Mass384.93
IUPAC Name5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(C#N)cc1NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C13H9BrClN3O2S/c1-8-2-3-9(6-16)4-11(8)18-21(19,20)12-5-10(14)7-17-13(12)15/h2-5,7,18H,1H3
InChIKeyJXWHAFFHIQUAKG-UHFFFAOYSA-N
XLogP3.48
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.66
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 60779864
5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 103791841
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
5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 61300253
5-bromo-N-(2-bromo-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 61217646
5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide
CID 107573390
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
5-bromo-2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide
CID 61299290
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
N-(2-bromo-4-cyanophenyl)-2-chloropyridine-3-sulfonamide
CID 61052379

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide (CID 62103004) is 5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide is Cc1ccc(C#N)cc1NS(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide?
The InChIKey is JXWHAFFHIQUAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3O2S/c1-8-2-3-9(6-16)4-11(8)18-21(19,20)12-5-10(14)7-17-13(12)15/h2-5,7,18H,1H3.
What are the key properties of 5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide has a molecular weight of 386.66 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62103004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).