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

C12H12BrN3O3S — CID 6623862

IUPAC2-amino-5-bromo-N-(4-methoxyphenyl)pyridine-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Br)cnc2N)cc1
InChIInChI=1S/C12H12BrN3O3S/c1-19-10-4-2-9(3-5-10)16-20(17,18)11-6-8(13)7-15-12(11)14/h2-7,16H,1H3,(H2,14,15)
InChIKeyPQWSIJBAQNEDMO-UHFFFAOYSA-N
MW358.22 g/mol
LogP2.24
Rot. Bonds4

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

2-amino-5-bromo-N-(4-methoxyphenyl)pyridine-3-sulfonamide (PubChem CID 6623862) has the molecular formula C12H12BrN3O3S and a molecular weight of 358.22 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(4-methoxyphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(4-methoxyphenyl)pyridine-3-sulfonamide
PubChem CID6623862
Molecular FormulaC12H12BrN3O3S
Molecular Weight358.22 g/mol
Exact Mass356.98
IUPAC Name2-amino-5-bromo-N-(4-methoxyphenyl)pyridine-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Br)cnc2N)cc1
InChIInChI=1S/C12H12BrN3O3S/c1-19-10-4-2-9(3-5-10)16-20(17,18)11-6-8(13)7-15-12(11)14/h2-7,16H,1H3,(H2,14,15)
InChIKeyPQWSIJBAQNEDMO-UHFFFAOYSA-N
XLogP2.24
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(4-methoxyphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(4-methoxyphenyl)pyridine-3-sulfonamide (CID 6623862) is 2-amino-5-bromo-N-(4-methoxyphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(4-methoxyphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(4-methoxyphenyl)pyridine-3-sulfonamide is COc1ccc(NS(=O)(=O)c2cc(Br)cnc2N)cc1.
What is the InChIKey of 2-amino-5-bromo-N-(4-methoxyphenyl)pyridine-3-sulfonamide?
The InChIKey is PQWSIJBAQNEDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O3S/c1-19-10-4-2-9(3-5-10)16-20(17,18)11-6-8(13)7-15-12(11)14/h2-7,16H,1H3,(H2,14,15).
What are the key properties of 2-amino-5-bromo-N-(4-methoxyphenyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(4-methoxyphenyl)pyridine-3-sulfonamide has a molecular weight of 358.22 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(4-methoxyphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 6623862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).