N-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide

C13H11N3O3S — CID 107697986

IUPACN-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(O)cc2N)c1
InChIInChI=1S/C13H11N3O3S/c14-8-9-2-1-3-11(6-9)20(18,19)16-13-5-4-10(17)7-12(13)15/h1-7,16-17H,15H2
InChIKeyQZOGWUFRFQGQQL-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.65
Rot. Bonds3

About N-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide

N-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide (PubChem CID 107697986) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
PubChem CID107697986
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC NameN-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(O)cc2N)c1
InChIInChI=1S/C13H11N3O3S/c14-8-9-2-1-3-11(6-9)20(18,19)16-13-5-4-10(17)7-12(13)15/h1-7,16-17H,15H2
InChIKeyQZOGWUFRFQGQQL-UHFFFAOYSA-N
XLogP1.65
TPSA116.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 64786986
N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide
CID 107809240
3-cyano-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 64794037
3-cyano-N-(2,3-difluorophenyl)benzenesulfonamide
CID 47336983
3-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 64794952
N-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide
CID 107697982
3-cyano-N-(2-iodophenyl)benzenesulfonamide
CID 7938667
3-cyano-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 62815564
N-(2-amino-4-cyanophenyl)-3,4-difluorobenzenesulfonamide
CID 78965177
N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide
CID 78965173
3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500884
3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 26970591

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide?
The IUPAC name of N-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide (CID 107697986) is N-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2ccc(O)cc2N)c1.
What is the InChIKey of N-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide?
The InChIKey is QZOGWUFRFQGQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c14-8-9-2-1-3-11(6-9)20(18,19)16-13-5-4-10(17)7-12(13)15/h1-7,16-17H,15H2.
What are the key properties of N-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide?
N-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide has a molecular weight of 289.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide is sourced from PubChem (CID 107697986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).