2-amino-4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide

C12H12BrN3O3S — CID 43257274

IUPAC2-amino-4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2N)cn1
InChIInChI=1S/C12H12BrN3O3S/c1-19-12-5-3-9(7-15-12)16-20(17,18)11-4-2-8(13)6-10(11)14/h2-7,16H,14H2,1H3
InChIKeyLLUUWBOJOWPLTF-UHFFFAOYSA-N
MW358.22 g/mol
LogP2.24
Rot. Bonds4

About 2-amino-4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide

2-amino-4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide (PubChem CID 43257274) has the molecular formula C12H12BrN3O3S and a molecular weight of 358.22 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
PubChem CID43257274
Molecular FormulaC12H12BrN3O3S
Molecular Weight358.22 g/mol
Exact Mass356.98
IUPAC Name2-amino-4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2N)cn1
InChIInChI=1S/C12H12BrN3O3S/c1-19-12-5-3-9(7-15-12)16-20(17,18)11-4-2-8(13)6-10(11)14/h2-7,16H,14H2,1H3
InChIKeyLLUUWBOJOWPLTF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3866014
2-amino-5-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 60985991
2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587465
6-amino-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 62149708
N-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide
CID 60824053
2-methoxy-5-(sulfamoylamino)pyridine
CID 112573201
2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903642
5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3476038
2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide
CID 43258121
N-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide
CID 60792229
5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 78931983
2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 81495216

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide (CID 43257274) is 2-amino-4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(Br)cc2N)cn1.
What is the InChIKey of 2-amino-4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The InChIKey is LLUUWBOJOWPLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O3S/c1-19-12-5-3-9(7-15-12)16-20(17,18)11-4-2-8(13)6-10(11)14/h2-7,16H,14H2,1H3.
What are the key properties of 2-amino-4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
2-amino-4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide 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-4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 43257274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).