4-(4-aminophenyl)sulfonylbenzene-1,3-diol

C12H11NO4S — CID 23274890

IUPAC4-(4-aminophenyl)sulfonylbenzene-1,3-diol
SMILESNc1ccc(S(=O)(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C12H11NO4S/c13-8-1-4-10(5-2-8)18(16,17)12-6-3-9(14)7-11(12)15/h1-7,14-15H,13H2
InChIKeyNQQLJFOGMTTYCZ-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.51
Rot. Bonds2

About 4-(4-aminophenyl)sulfonylbenzene-1,3-diol

4-(4-aminophenyl)sulfonylbenzene-1,3-diol (PubChem CID 23274890) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfonylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfonylbenzene-1,3-diol
PubChem CID23274890
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Name4-(4-aminophenyl)sulfonylbenzene-1,3-diol
SMILESNc1ccc(S(=O)(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C12H11NO4S/c13-8-1-4-10(5-2-8)18(16,17)12-6-3-9(14)7-11(12)15/h1-7,14-15H,13H2
InChIKeyNQQLJFOGMTTYCZ-UHFFFAOYSA-N
XLogP1.51
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfonylbenzene-1,3-diol?
The IUPAC name of 4-(4-aminophenyl)sulfonylbenzene-1,3-diol (CID 23274890) is 4-(4-aminophenyl)sulfonylbenzene-1,3-diol.
What is the SMILES notation for 4-(4-aminophenyl)sulfonylbenzene-1,3-diol?
The canonical SMILES for 4-(4-aminophenyl)sulfonylbenzene-1,3-diol is Nc1ccc(S(=O)(=O)c2ccc(O)cc2O)cc1.
What is the InChIKey of 4-(4-aminophenyl)sulfonylbenzene-1,3-diol?
The InChIKey is NQQLJFOGMTTYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c13-8-1-4-10(5-2-8)18(16,17)12-6-3-9(14)7-11(12)15/h1-7,14-15H,13H2.
What are the key properties of 4-(4-aminophenyl)sulfonylbenzene-1,3-diol?
4-(4-aminophenyl)sulfonylbenzene-1,3-diol has a molecular weight of 265.29 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfonylbenzene-1,3-diol is sourced from PubChem (CID 23274890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).