4-amino-2-cyano-N-(3-hydroxyphenyl)benzenesulfonamide

C13H11N3O3S — CID 61166320

IUPAC4-amino-2-cyano-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESN#Cc1cc(N)ccc1S(=O)(=O)Nc1cccc(O)c1
InChIInChI=1S/C13H11N3O3S/c14-8-9-6-10(15)4-5-13(9)20(18,19)16-11-2-1-3-12(17)7-11/h1-7,16-17H,15H2
InChIKeyGQWCFGYXUBDOJQ-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.65
Rot. Bonds3

About 4-amino-2-cyano-N-(3-hydroxyphenyl)benzenesulfonamide

4-amino-2-cyano-N-(3-hydroxyphenyl)benzenesulfonamide (PubChem CID 61166320) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 4-amino-2-cyano-N-(3-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-cyano-N-(3-hydroxyphenyl)benzenesulfonamide
PubChem CID61166320
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name4-amino-2-cyano-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESN#Cc1cc(N)ccc1S(=O)(=O)Nc1cccc(O)c1
InChIInChI=1S/C13H11N3O3S/c14-8-9-6-10(15)4-5-13(9)20(18,19)16-11-2-1-3-12(17)7-11/h1-7,16-17H,15H2
InChIKeyGQWCFGYXUBDOJQ-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 43256224
3-[(4-amino-2-methylphenyl)sulfonylamino]benzamide
CID 61107665
4-amino-2-chloro-N-(4-chloro-3-cyanophenyl)benzenesulfonamide
CID 61107705
4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 93081252
4-amino-2-cyano-N-ethylbenzenesulfonamide
CID 43255698
2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61167481
4-amino-2-cyano-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62902060
4-amino-N-(3-chloro-2-pyridinyl)-2-cyanobenzenesulfonamide
CID 103093927
4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide
CID 43257540
2,4-dichloro-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103088374
3-[(4-amino-2-cyanophenyl)sulfonylamino]-2-hydroxypropanamide
CID 106164933
2,4,5-trichloro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 39845466

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyano-N-(3-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-cyano-N-(3-hydroxyphenyl)benzenesulfonamide (CID 61166320) is 4-amino-2-cyano-N-(3-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-cyano-N-(3-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-cyano-N-(3-hydroxyphenyl)benzenesulfonamide is N#Cc1cc(N)ccc1S(=O)(=O)Nc1cccc(O)c1.
What is the InChIKey of 4-amino-2-cyano-N-(3-hydroxyphenyl)benzenesulfonamide?
The InChIKey is GQWCFGYXUBDOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c14-8-9-6-10(15)4-5-13(9)20(18,19)16-11-2-1-3-12(17)7-11/h1-7,16-17H,15H2.
What are the key properties of 4-amino-2-cyano-N-(3-hydroxyphenyl)benzenesulfonamide?
4-amino-2-cyano-N-(3-hydroxyphenyl)benzenesulfonamide 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 4-amino-2-cyano-N-(3-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 61166320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).