N-(5-chloro-2-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide

C12H8ClN3O3S — CID 106598121

IUPACN-(5-chloro-2-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C12H8ClN3O3S/c13-8-3-4-11(17)9(6-8)16-20(18,19)12-2-1-5-15-10(12)7-14/h1-6,16-17H
InChIKeyJIQDEZHJODXMMJ-UHFFFAOYSA-N
MW309.73 g/mol
LogP2.11
Rot. Bonds3

About N-(5-chloro-2-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide

N-(5-chloro-2-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide (PubChem CID 106598121) has the molecular formula C12H8ClN3O3S and a molecular weight of 309.73 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide
PubChem CID106598121
Molecular FormulaC12H8ClN3O3S
Molecular Weight309.73 g/mol
Exact Mass309.00
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C12H8ClN3O3S/c13-8-3-4-11(17)9(6-8)16-20(18,19)12-2-1-5-15-10(12)7-14/h1-6,16-17H
InChIKeyJIQDEZHJODXMMJ-UHFFFAOYSA-N
XLogP2.11
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-hydroxyphenyl)-2-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

N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106595617
2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide
CID 106595373
N-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide
CID 107697867
2-cyano-N-(2-cyanophenyl)pyridine-3-sulfonamide
CID 106595115
N-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106593177
N-(4-amino-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106593185
N-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106703755
2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide
CID 106598901
N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide
CID 106598520
2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 106595467
2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide
CID 106595571
N-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide
CID 106703731

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide (CID 106598121) is N-(5-chloro-2-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide?
The InChIKey is JIQDEZHJODXMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3S/c13-8-3-4-11(17)9(6-8)16-20(18,19)12-2-1-5-15-10(12)7-14/h1-6,16-17H.
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide?
N-(5-chloro-2-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide has a molecular weight of 309.73 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 106598121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).