2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide

C13H14BrN3O4S — CID 22515844

IUPAC2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Br)cnc2N)c(OC)c1
InChIInChI=1S/C13H14BrN3O4S/c1-20-9-3-4-10(11(6-9)21-2)17-22(18,19)12-5-8(14)7-16-13(12)15/h3-7,17H,1-2H3,(H2,15,16)
InChIKeyAGYAXDLKSVIFIF-UHFFFAOYSA-N
MW388.24 g/mol
LogP2.24
Rot. Bonds5

About 2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide

2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide (PubChem CID 22515844) has the molecular formula C13H14BrN3O4S and a molecular weight of 388.24 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide
PubChem CID22515844
Molecular FormulaC13H14BrN3O4S
Molecular Weight388.24 g/mol
Exact Mass386.99
IUPAC Name2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Br)cnc2N)c(OC)c1
InChIInChI=1S/C13H14BrN3O4S/c1-20-9-3-4-10(11(6-9)21-2)17-22(18,19)12-5-8(14)7-16-13(12)15/h3-7,17H,1-2H3,(H2,15,16)
InChIKeyAGYAXDLKSVIFIF-UHFFFAOYSA-N
XLogP2.24
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.24
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-sulfonamide
CID 22515878
4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 7514398
2-amino-5-bromo-N-(2-fluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 62162619
2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 28590092
N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 19683207
5-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-sulfonamide
CID 61298510
2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 107593897
2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 103766525
2-amino-5-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide
CID 103844082
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
2-amino-5-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 62143669
2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 22515848

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide (CID 22515844) is 2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide is COc1ccc(NS(=O)(=O)c2cc(Br)cnc2N)c(OC)c1.
What is the InChIKey of 2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide?
The InChIKey is AGYAXDLKSVIFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O4S/c1-20-9-3-4-10(11(6-9)21-2)17-22(18,19)12-5-8(14)7-16-13(12)15/h3-7,17H,1-2H3,(H2,15,16).
What are the key properties of 2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide has a molecular weight of 388.24 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 22515844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).