Dapsone hydroxylamine

C12H12N2O3S — CID 65387

IUPACN-[4-(4-aminophenyl)sulfonylphenyl]hydroxylamine
SMILESC1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NO
InChIInChI=1S/C12H12N2O3S/c13-9-1-5-11(6-2-9)18(16,17)12-7-3-10(14-15)4-8-12/h1-8,14-15H,13H2
InChIKeyIYDSJDWESCGRKW-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.90
Rot. Bonds3

About Dapsone hydroxylamine

Dapsone hydroxylamine (PubChem CID 65387) has the molecular formula C12H12N2O3S and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[4-(4-aminophenyl)sulfonylphenyl]hydroxylamine.

Molecular Properties

Compound NameDapsone hydroxylamine
PubChem CID65387
Molecular FormulaC12H12N2O3S
Molecular Weight264.30 g/mol
Exact Mass264.06
IUPAC NameN-[4-(4-aminophenyl)sulfonylphenyl]hydroxylamine
SMILESC1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NO
InChIInChI=1S/C12H12N2O3S/c13-9-1-5-11(6-2-9)18(16,17)12-7-3-10(14-15)4-8-12/h1-8,14-15H,13H2
InChIKeyIYDSJDWESCGRKW-UHFFFAOYSA-N
XLogP0.90
TPSA101.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity350

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Dapsone hydroxylamine?
The IUPAC name of Dapsone hydroxylamine (CID 65387) is N-[4-(4-aminophenyl)sulfonylphenyl]hydroxylamine.
What is the SMILES notation for Dapsone hydroxylamine?
The canonical SMILES for Dapsone hydroxylamine is C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NO.
What is the InChIKey of Dapsone hydroxylamine?
The InChIKey is IYDSJDWESCGRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c13-9-1-5-11(6-2-9)18(16,17)12-7-3-10(14-15)4-8-12/h1-8,14-15H,13H2.
What are the key properties of Dapsone hydroxylamine?
Dapsone hydroxylamine has a molecular weight of 264.30 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Dapsone hydroxylamine is sourced from PubChem (CID 65387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).