4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide

C12H12BrN3O3S — CID 43258667

IUPAC4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C12H12BrN3O3S/c1-19-10-6-9(14)3-4-11(10)20(17,18)16-12-5-2-8(13)7-15-12/h2-7H,14H2,1H3,(H,15,16)
InChIKeyCJFKPKIWIRGSBT-UHFFFAOYSA-N
MW358.22 g/mol
LogP2.24
Rot. Bonds4

About 4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide

4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide (PubChem CID 43258667) has the molecular formula C12H12BrN3O3S and a molecular weight of 358.22 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
PubChem CID43258667
Molecular FormulaC12H12BrN3O3S
Molecular Weight358.22 g/mol
Exact Mass356.98
IUPAC Name4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C12H12BrN3O3S/c1-19-10-6-9(14)3-4-11(10)20(17,18)16-12-5-2-8(13)7-15-12/h2-7H,14H2,1H3,(H,15,16)
InChIKeyCJFKPKIWIRGSBT-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

N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 19683207
5-amino-N-(5-bromo-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79961728
4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 43114331
4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 43257571
4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 43257220
4-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide
CID 104616810
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 43114317
N-(5-amino-2-pyridinyl)-2,5-dibromobenzenesulfonamide
CID 43327262
3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 79889062
5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide
CID 65023326
N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 60723562
3-amino-4-[(5-bromo-2-pyridinyl)sulfamoyl]benzoic acid
CID 81465963

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide (CID 43258667) is 4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)Nc1ccc(Br)cn1.
What is the InChIKey of 4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide?
The InChIKey is CJFKPKIWIRGSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O3S/c1-19-10-6-9(14)3-4-11(10)20(17,18)16-12-5-2-8(13)7-15-12/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide?
4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide 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 4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 43258667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).