6-amino-N-(3-bromo-5-methoxyphenyl)pyridine-3-sulfonamide

C12H12BrN3O3S — CID 82858181

IUPAC6-amino-N-(3-bromo-5-methoxyphenyl)pyridine-3-sulfonamide
SMILESCOc1cc(Br)cc(NS(=O)(=O)c2ccc(N)nc2)c1
InChIInChI=1S/C12H12BrN3O3S/c1-19-10-5-8(13)4-9(6-10)16-20(17,18)11-2-3-12(14)15-7-11/h2-7,16H,1H3,(H2,14,15)
InChIKeyGFQOEDMCPUBTQK-UHFFFAOYSA-N
MW358.22 g/mol
LogP2.24
Rot. Bonds4

About 6-amino-N-(3-bromo-5-methoxyphenyl)pyridine-3-sulfonamide

6-amino-N-(3-bromo-5-methoxyphenyl)pyridine-3-sulfonamide (PubChem CID 82858181) has the molecular formula C12H12BrN3O3S and a molecular weight of 358.22 g/mol. Its IUPAC name is 6-amino-N-(3-bromo-5-methoxyphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(3-bromo-5-methoxyphenyl)pyridine-3-sulfonamide
PubChem CID82858181
Molecular FormulaC12H12BrN3O3S
Molecular Weight358.22 g/mol
Exact Mass356.98
IUPAC Name6-amino-N-(3-bromo-5-methoxyphenyl)pyridine-3-sulfonamide
SMILESCOc1cc(Br)cc(NS(=O)(=O)c2ccc(N)nc2)c1
InChIInChI=1S/C12H12BrN3O3S/c1-19-10-5-8(13)4-9(6-10)16-20(17,18)11-2-3-12(14)15-7-11/h2-7,16H,1H3,(H2,14,15)
InChIKeyGFQOEDMCPUBTQK-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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Related Compounds

4-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbenzenesulfonamide
CID 82859346
6-amino-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 62145055
6-amino-N-(4-bromo-3-methoxyphenyl)pyridine-3-sulfonamide
CID 82857469
5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine
CID 82857949
4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide
CID 82859753
6-amino-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 62149708
2-bromo-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide
CID 82860132
N-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 51354314
6-amino-N-(4-propoxyphenyl)pyridine-3-sulfonamide
CID 62328717
2-amino-N-(3-bromo-5-methoxyphenyl)-6-fluorobenzenesulfonamide
CID 82859351
2-amino-N-(3-bromo-5-methoxyphenyl)-6-chlorobenzenesulfonamide
CID 82859345
N-(6-amino-3-pyridinyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106606554

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-bromo-5-methoxyphenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-(3-bromo-5-methoxyphenyl)pyridine-3-sulfonamide (CID 82858181) is 6-amino-N-(3-bromo-5-methoxyphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-(3-bromo-5-methoxyphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-(3-bromo-5-methoxyphenyl)pyridine-3-sulfonamide is COc1cc(Br)cc(NS(=O)(=O)c2ccc(N)nc2)c1.
What is the InChIKey of 6-amino-N-(3-bromo-5-methoxyphenyl)pyridine-3-sulfonamide?
The InChIKey is GFQOEDMCPUBTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O3S/c1-19-10-5-8(13)4-9(6-10)16-20(17,18)11-2-3-12(14)15-7-11/h2-7,16H,1H3,(H2,14,15).
What are the key properties of 6-amino-N-(3-bromo-5-methoxyphenyl)pyridine-3-sulfonamide?
6-amino-N-(3-bromo-5-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 6-amino-N-(3-bromo-5-methoxyphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 82858181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).