N-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide

C12H8BrN3O3S — CID 115685368

IUPACN-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2O)cn1
InChIInChI=1S/C12H8BrN3O3S/c13-8-1-4-12(17)11(5-8)16-20(18,19)10-3-2-9(6-14)15-7-10/h1-5,7,16-17H
InChIKeyAVIZENKUESYZII-UHFFFAOYSA-N
MW354.19 g/mol
LogP2.22
Rot. Bonds3

About N-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide

N-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide (PubChem CID 115685368) has the molecular formula C12H8BrN3O3S and a molecular weight of 354.19 g/mol. Its IUPAC name is N-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide
PubChem CID115685368
Molecular FormulaC12H8BrN3O3S
Molecular Weight354.19 g/mol
Exact Mass352.95
IUPAC NameN-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2O)cn1
InChIInChI=1S/C12H8BrN3O3S/c13-8-1-4-12(17)11(5-8)16-20(18,19)10-3-2-9(6-14)15-7-10/h1-5,7,16-17H
InChIKeyAVIZENKUESYZII-UHFFFAOYSA-N
XLogP2.22
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide
CID 115602177
N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide
CID 103278188
N-(4-amino-2-bromophenyl)-6-cyanopyridine-3-sulfonamide
CID 114612856
6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 115602138
6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 115602102
6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide
CID 115602142
6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide
CID 115602123
6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide
CID 104599450
N-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide
CID 114612830
N-[(5-amino-2-hydroxyphenyl)methyl]-6-cyanopyridine-3-sulfonamide
CID 114612850
6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide
CID 107848455
6-cyano-N-(5-cyano-2-pyridinyl)pyridine-3-sulfonamide
CID 115662563

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide?
The IUPAC name of N-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide (CID 115685368) is N-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide is N#Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2O)cn1.
What is the InChIKey of N-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide?
The InChIKey is AVIZENKUESYZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O3S/c13-8-1-4-12(17)11(5-8)16-20(18,19)10-3-2-9(6-14)15-7-10/h1-5,7,16-17H.
What are the key properties of N-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide?
N-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide has a molecular weight of 354.19 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 115685368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).