1-(4-aminophenyl)-3-(4-sulfamoylphenyl)urea

C13H14N4O3S — CID 43468983

IUPAC1-(4-aminophenyl)-3-(4-sulfamoylphenyl)urea
SMILESNc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C13H14N4O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,14H2,(H2,15,19,20)(H2,16,17,18)
InChIKeyAEQGYCNJSFFQEG-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.56
Rot. Bonds3

About 1-(4-aminophenyl)-3-(4-sulfamoylphenyl)urea

1-(4-aminophenyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 43468983) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-(4-sulfamoylphenyl)urea
PubChem CID43468983
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name1-(4-aminophenyl)-3-(4-sulfamoylphenyl)urea
SMILESNc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C13H14N4O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,14H2,(H2,15,19,20)(H2,16,17,18)
InChIKeyAEQGYCNJSFFQEG-UHFFFAOYSA-N
XLogP1.56
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(4-aminophenyl)-3-(4-sulfamoylphenyl)urea (CID 43468983) is 1-(4-aminophenyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(4-aminophenyl)-3-(4-sulfamoylphenyl)urea is Nc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is AEQGYCNJSFFQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,14H2,(H2,15,19,20)(H2,16,17,18).
What are the key properties of 1-(4-aminophenyl)-3-(4-sulfamoylphenyl)urea?
1-(4-aminophenyl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 306.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 43468983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).