N-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide

C12H10N4O3S — CID 107697867

IUPACN-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)Nc1ccc(O)cc1N
InChIInChI=1S/C12H10N4O3S/c13-7-11-12(2-1-5-15-11)20(18,19)16-10-4-3-8(17)6-9(10)14/h1-6,16-17H,14H2
InChIKeyFFJBBOAKWFFFQK-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.04
Rot. Bonds3

About N-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide

N-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide (PubChem CID 107697867) has the molecular formula C12H10N4O3S and a molecular weight of 290.30 g/mol. Its IUPAC name is N-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide
PubChem CID107697867
Molecular FormulaC12H10N4O3S
Molecular Weight290.30 g/mol
Exact Mass290.05
IUPAC NameN-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)Nc1ccc(O)cc1N
InChIInChI=1S/C12H10N4O3S/c13-7-11-12(2-1-5-15-11)20(18,19)16-10-4-3-8(17)6-9(10)14/h1-6,16-17H,14H2
InChIKeyFFJBBOAKWFFFQK-UHFFFAOYSA-N
XLogP1.04
TPSA129.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106593177
N-(4-amino-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106593185
N-(5-chloro-2-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide
CID 106598121
2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide
CID 106595373
2-cyano-N-(2-cyanophenyl)pyridine-3-sulfonamide
CID 106595115
N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106595617
N-(4-amino-3-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106593210
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-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106703755

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide?
The IUPAC name of N-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide (CID 107697867) is N-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)Nc1ccc(O)cc1N.
What is the InChIKey of N-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide?
The InChIKey is FFJBBOAKWFFFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3S/c13-7-11-12(2-1-5-15-11)20(18,19)16-10-4-3-8(17)6-9(10)14/h1-6,16-17H,14H2.
What are the key properties of N-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide?
N-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide has a molecular weight of 290.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 107697867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).