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

C12H12N2O3S — CID 3608856

IUPACN-(4-amino-2-hydroxyphenyl)benzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C12H12N2O3S/c13-9-6-7-11(12(15)8-9)14-18(16,17)10-4-2-1-3-5-10/h1-8,14-15H,13H2
InChIKeyWGARESHTVLAADK-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.78
Rot. Bonds3

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

N-(4-amino-2-hydroxyphenyl)benzenesulfonamide (PubChem CID 3608856) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-(4-amino-2-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-hydroxyphenyl)benzenesulfonamide
PubChem CID3608856
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC NameN-(4-amino-2-hydroxyphenyl)benzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C12H12N2O3S/c13-9-6-7-11(12(15)8-9)14-18(16,17)10-4-2-1-3-5-10/h1-8,14-15H,13H2
InChIKeyWGARESHTVLAADK-UHFFFAOYSA-N
XLogP1.78
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of N-(4-amino-2-hydroxyphenyl)benzenesulfonamide (CID 3608856) is N-(4-amino-2-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(4-amino-2-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(4-amino-2-hydroxyphenyl)benzenesulfonamide is Nc1ccc(NS(=O)(=O)c2ccccc2)c(O)c1.
What is the InChIKey of N-(4-amino-2-hydroxyphenyl)benzenesulfonamide?
The InChIKey is WGARESHTVLAADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c13-9-6-7-11(12(15)8-9)14-18(16,17)10-4-2-1-3-5-10/h1-8,14-15H,13H2.
What are the key properties of N-(4-amino-2-hydroxyphenyl)benzenesulfonamide?
N-(4-amino-2-hydroxyphenyl)benzenesulfonamide has a molecular weight of 264.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 3608856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).