2-amino-3-hydroxy-N-phenylbenzenesulfonamide

C12H12N2O3S — CID 59136482

IUPAC2-amino-3-hydroxy-N-phenylbenzenesulfonamide
SMILESNc1c(O)cccc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C12H12N2O3S/c13-12-10(15)7-4-8-11(12)18(16,17)14-9-5-2-1-3-6-9/h1-8,14-15H,13H2
InChIKeyAKYRVJGMKADCJK-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.78
Rot. Bonds3

About 2-amino-3-hydroxy-N-phenylbenzenesulfonamide

2-amino-3-hydroxy-N-phenylbenzenesulfonamide (PubChem CID 59136482) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-phenylbenzenesulfonamide
PubChem CID59136482
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name2-amino-3-hydroxy-N-phenylbenzenesulfonamide
SMILESNc1c(O)cccc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C12H12N2O3S/c13-12-10(15)7-4-8-11(12)18(16,17)14-9-5-2-1-3-6-9/h1-8,14-15H,13H2
InChIKeyAKYRVJGMKADCJK-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 2-amino-3-hydroxy-N-phenylbenzenesulfonamide?
The IUPAC name of 2-amino-3-hydroxy-N-phenylbenzenesulfonamide (CID 59136482) is 2-amino-3-hydroxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-phenylbenzenesulfonamide?
The canonical SMILES for 2-amino-3-hydroxy-N-phenylbenzenesulfonamide is Nc1c(O)cccc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 2-amino-3-hydroxy-N-phenylbenzenesulfonamide?
The InChIKey is AKYRVJGMKADCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c13-12-10(15)7-4-8-11(12)18(16,17)14-9-5-2-1-3-6-9/h1-8,14-15H,13H2.
What are the key properties of 2-amino-3-hydroxy-N-phenylbenzenesulfonamide?
2-amino-3-hydroxy-N-phenylbenzenesulfonamide 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 2-amino-3-hydroxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 59136482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).