1-(4-fluorophenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea

C13H12FN3O4S — CID 138393077

IUPAC1-(4-fluorophenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C13H12FN3O4S/c14-8-1-3-9(4-2-8)16-13(19)17-11-7-10(22(15,20)21)5-6-12(11)18/h1-7,18H,(H2,15,20,21)(H2,16,17,19)
InChIKeyOLGWGVRAMJNQOD-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.82
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea

1-(4-fluorophenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea (PubChem CID 138393077) has the molecular formula C13H12FN3O4S and a molecular weight of 325.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea
PubChem CID138393077
Molecular FormulaC13H12FN3O4S
Molecular Weight325.32 g/mol
Exact Mass325.05
IUPAC Name1-(4-fluorophenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C13H12FN3O4S/c14-8-1-3-9(4-2-8)16-13(19)17-11-7-10(22(15,20)21)5-6-12(11)18/h1-7,18H,(H2,15,20,21)(H2,16,17,19)
InChIKeyOLGWGVRAMJNQOD-UHFFFAOYSA-N
XLogP1.82
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea (CID 138393077) is 1-(4-fluorophenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea?
The InChIKey is OLGWGVRAMJNQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O4S/c14-8-1-3-9(4-2-8)16-13(19)17-11-7-10(22(15,20)21)5-6-12(11)18/h1-7,18H,(H2,15,20,21)(H2,16,17,19).
What are the key properties of 1-(4-fluorophenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea?
1-(4-fluorophenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea has a molecular weight of 325.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea is sourced from PubChem (CID 138393077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).