5-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-sulfonamide

C13H12BrClN2O3S — CID 61298510

IUPAC5-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-sulfonamide
SMILESCOc1cc(C)ccc1NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C13H12BrClN2O3S/c1-8-3-4-10(11(5-8)20-2)17-21(18,19)12-6-9(14)7-16-13(12)15/h3-7,17H,1-2H3
InChIKeyVCKSOKYYYIGOJT-UHFFFAOYSA-N
MW391.67 g/mol
LogP3.62
Rot. Bonds4

About 5-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-sulfonamide

5-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-sulfonamide (PubChem CID 61298510) has the molecular formula C13H12BrClN2O3S and a molecular weight of 391.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-sulfonamide
PubChem CID61298510
Molecular FormulaC13H12BrClN2O3S
Molecular Weight391.67 g/mol
Exact Mass389.94
IUPAC Name5-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-sulfonamide
SMILESCOc1cc(C)ccc1NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C13H12BrClN2O3S/c1-8-3-4-10(11(5-8)20-2)17-21(18,19)12-6-9(14)7-16-13(12)15/h3-7,17H,1-2H3
InChIKeyVCKSOKYYYIGOJT-UHFFFAOYSA-N
XLogP3.62
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.67
LogP ≤ 53.62
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-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-sulfonamide
CID 60779896
5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide
CID 107625055
5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 61300253
2-amino-5-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-sulfonamide
CID 22515878
5-bromo-2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 60779864
2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide
CID 22515844
methyl 3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
CID 60779698
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide
CID 62103004
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-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 27993653
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-sulfonamide (CID 61298510) is 5-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-sulfonamide is COc1cc(C)ccc1NS(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-sulfonamide?
The InChIKey is VCKSOKYYYIGOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O3S/c1-8-3-4-10(11(5-8)20-2)17-21(18,19)12-6-9(14)7-16-13(12)15/h3-7,17H,1-2H3.
What are the key properties of 5-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-sulfonamide has a molecular weight of 391.67 g/mol, XLogP of 3.62, 4 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-(2-methoxy-4-methylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 61298510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).