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

C13H14BrN3O4S — CID 22515825

IUPAC2-amino-5-bromo-N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Br)cnc2N)cc1OC
InChIInChI=1S/C13H14BrN3O4S/c1-20-10-4-3-9(6-11(10)21-2)17-22(18,19)12-5-8(14)7-16-13(12)15/h3-7,17H,1-2H3,(H2,15,16)
InChIKeyGRMAJDNJVMECHA-UHFFFAOYSA-N
MW388.24 g/mol
LogP2.24
Rot. Bonds5

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

2-amino-5-bromo-N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide (PubChem CID 22515825) has the molecular formula C13H14BrN3O4S and a molecular weight of 388.24 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide
PubChem CID22515825
Molecular FormulaC13H14BrN3O4S
Molecular Weight388.24 g/mol
Exact Mass386.99
IUPAC Name2-amino-5-bromo-N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Br)cnc2N)cc1OC
InChIInChI=1S/C13H14BrN3O4S/c1-20-10-4-3-9(6-11(10)21-2)17-22(18,19)12-5-8(14)7-16-13(12)15/h3-7,17H,1-2H3,(H2,15,16)
InChIKeyGRMAJDNJVMECHA-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide (CID 22515825) is 2-amino-5-bromo-N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide is COc1ccc(NS(=O)(=O)c2cc(Br)cnc2N)cc1OC.
What is the InChIKey of 2-amino-5-bromo-N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide?
The InChIKey is GRMAJDNJVMECHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O4S/c1-20-10-4-3-9(6-11(10)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-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(3,4-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-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 22515825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).