1-benzyl-3-(2-hydroxy-5-sulfamoylphenyl)urea

C14H15N3O4S — CID 15645619

IUPAC1-benzyl-3-(2-hydroxy-5-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(O)c(NC(=O)NCc2ccccc2)c1
InChIInChI=1S/C14H15N3O4S/c15-22(20,21)11-6-7-13(18)12(8-11)17-14(19)16-9-10-4-2-1-3-5-10/h1-8,18H,9H2,(H2,15,20,21)(H2,16,17,19)
InChIKeyVCGBCYMMTUTXAK-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.36
Rot. Bonds4

About 1-benzyl-3-(2-hydroxy-5-sulfamoylphenyl)urea

1-benzyl-3-(2-hydroxy-5-sulfamoylphenyl)urea (PubChem CID 15645619) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 1-benzyl-3-(2-hydroxy-5-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-hydroxy-5-sulfamoylphenyl)urea
PubChem CID15645619
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name1-benzyl-3-(2-hydroxy-5-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(O)c(NC(=O)NCc2ccccc2)c1
InChIInChI=1S/C14H15N3O4S/c15-22(20,21)11-6-7-13(18)12(8-11)17-14(19)16-9-10-4-2-1-3-5-10/h1-8,18H,9H2,(H2,15,20,21)(H2,16,17,19)
InChIKeyVCGBCYMMTUTXAK-UHFFFAOYSA-N
XLogP1.36
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.36
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-benzyl-3-(2-hydroxy-5-sulfamoylphenyl)urea?
The IUPAC name of 1-benzyl-3-(2-hydroxy-5-sulfamoylphenyl)urea (CID 15645619) is 1-benzyl-3-(2-hydroxy-5-sulfamoylphenyl)urea.
What is the SMILES notation for 1-benzyl-3-(2-hydroxy-5-sulfamoylphenyl)urea?
The canonical SMILES for 1-benzyl-3-(2-hydroxy-5-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(O)c(NC(=O)NCc2ccccc2)c1.
What is the InChIKey of 1-benzyl-3-(2-hydroxy-5-sulfamoylphenyl)urea?
The InChIKey is VCGBCYMMTUTXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c15-22(20,21)11-6-7-13(18)12(8-11)17-14(19)16-9-10-4-2-1-3-5-10/h1-8,18H,9H2,(H2,15,20,21)(H2,16,17,19).
What are the key properties of 1-benzyl-3-(2-hydroxy-5-sulfamoylphenyl)urea?
1-benzyl-3-(2-hydroxy-5-sulfamoylphenyl)urea has a molecular weight of 321.36 g/mol, XLogP of 1.36, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-hydroxy-5-sulfamoylphenyl)urea is sourced from PubChem (CID 15645619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).