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

C13H12IN3O3S — CID 38155699

IUPAC1-(4-iodophenyl)-3-(3-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1cccc(NC(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C13H12IN3O3S/c14-9-4-6-10(7-5-9)16-13(18)17-11-2-1-3-12(8-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
InChIKeyWMSZKIBSIKBOMZ-UHFFFAOYSA-N
MW417.23 g/mol
LogP2.58
Rot. Bonds3

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

1-(4-iodophenyl)-3-(3-sulfamoylphenyl)urea (PubChem CID 38155699) has the molecular formula C13H12IN3O3S and a molecular weight of 417.23 g/mol. Its IUPAC name is 1-(4-iodophenyl)-3-(3-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(4-iodophenyl)-3-(3-sulfamoylphenyl)urea
PubChem CID38155699
Molecular FormulaC13H12IN3O3S
Molecular Weight417.23 g/mol
Exact Mass416.96
IUPAC Name1-(4-iodophenyl)-3-(3-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1cccc(NC(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C13H12IN3O3S/c14-9-4-6-10(7-5-9)16-13(18)17-11-2-1-3-12(8-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
InChIKeyWMSZKIBSIKBOMZ-UHFFFAOYSA-N
XLogP2.58
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.23
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-3-(3-sulfamoylphenyl)urea?
The IUPAC name of 1-(4-iodophenyl)-3-(3-sulfamoylphenyl)urea (CID 38155699) is 1-(4-iodophenyl)-3-(3-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(4-iodophenyl)-3-(3-sulfamoylphenyl)urea?
The canonical SMILES for 1-(4-iodophenyl)-3-(3-sulfamoylphenyl)urea is NS(=O)(=O)c1cccc(NC(=O)Nc2ccc(I)cc2)c1.
What is the InChIKey of 1-(4-iodophenyl)-3-(3-sulfamoylphenyl)urea?
The InChIKey is WMSZKIBSIKBOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IN3O3S/c14-9-4-6-10(7-5-9)16-13(18)17-11-2-1-3-12(8-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18).
What are the key properties of 1-(4-iodophenyl)-3-(3-sulfamoylphenyl)urea?
1-(4-iodophenyl)-3-(3-sulfamoylphenyl)urea has a molecular weight of 417.23 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-3-(3-sulfamoylphenyl)urea is sourced from PubChem (CID 38155699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).