2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide

C13H14BrN3O3S — CID 62156694

IUPAC2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2cc(Br)cnc2N)c1
InChIInChI=1S/C13H14BrN3O3S/c1-2-20-11-5-3-4-10(7-11)17-21(18,19)12-6-9(14)8-16-13(12)15/h3-8,17H,2H2,1H3,(H2,15,16)
InChIKeyADILWHGINGWVER-UHFFFAOYSA-N
MW372.24 g/mol
LogP2.63
Rot. Bonds5

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

2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide (PubChem CID 62156694) has the molecular formula C13H14BrN3O3S and a molecular weight of 372.24 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide
PubChem CID62156694
Molecular FormulaC13H14BrN3O3S
Molecular Weight372.24 g/mol
Exact Mass370.99
IUPAC Name2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2cc(Br)cnc2N)c1
InChIInChI=1S/C13H14BrN3O3S/c1-2-20-11-5-3-4-10(7-11)17-21(18,19)12-6-9(14)8-16-13(12)15/h3-8,17H,2H2,1H3,(H2,15,16)
InChIKeyADILWHGINGWVER-UHFFFAOYSA-N
XLogP2.63
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-bromo-N-(3-iodophenyl)pyridine-3-sulfonamide
CID 55043820
2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide
CID 61062492
N-(3-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide
CID 22515885
2-amino-5-bromo-N-(3-cyanophenyl)pyridine-3-sulfonamide
CID 62145031
2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 22515848
2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 61126103
5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 61125171
N-(3-ethoxyphenyl)-2-hydroxybenzenesulfonamide
CID 81241070
5-bromo-N-(3-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62144727
3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358660
5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide
CID 80578716
2-amino-5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]pyridine-3-sulfonamide
CID 166328062

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide (CID 62156694) is 2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide is CCOc1cccc(NS(=O)(=O)c2cc(Br)cnc2N)c1.
What is the InChIKey of 2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide?
The InChIKey is ADILWHGINGWVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3S/c1-2-20-11-5-3-4-10(7-11)17-21(18,19)12-6-9(14)8-16-13(12)15/h3-8,17H,2H2,1H3,(H2,15,16).
What are the key properties of 2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide has a molecular weight of 372.24 g/mol, XLogP of 2.63, 5 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-(3-ethoxyphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62156694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).