1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea

C13H12IN3O3S — CID 68630610

IUPAC1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2I)cc1
InChIInChI=1S/C13H12IN3O3S/c14-11-3-1-2-4-12(11)17-13(18)16-9-5-7-10(8-6-9)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
InChIKeyNGVWHDHNIVFQGD-UHFFFAOYSA-N
MW417.23 g/mol
LogP2.58
Rot. Bonds3

About 1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea

1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 68630610) has the molecular formula C13H12IN3O3S and a molecular weight of 417.23 g/mol. Its IUPAC name is 1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea
PubChem CID68630610
Molecular FormulaC13H12IN3O3S
Molecular Weight417.23 g/mol
Exact Mass416.96
IUPAC Name1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2I)cc1
InChIInChI=1S/C13H12IN3O3S/c14-11-3-1-2-4-12(11)17-13(18)16-9-5-7-10(8-6-9)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
InChIKeyNGVWHDHNIVFQGD-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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Related Compounds

1-(2-iodophenyl)-3-pyridin-4-ylurea
CID 3370542
1-(3-fluoro-2-methylphenyl)-3-(4-sulfamoylphenyl)urea
CID 46860176
4-[(2-hydroxyphenyl)carbamoylamino]benzenesulfonic acid
CID 108871359
2-[4-[(2-iodophenyl)carbamoylamino]phenyl]acetic acid
CID 61185205
1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea
CID 108892683
2-hydrazinyl-N-(4-sulfamoylphenyl)benzamide
CID 62234840
2-hydroxy-4-[(2-iodophenyl)carbamoylamino]benzoic acid
CID 61186270
1-carbamoyl-3-(4-sulfamoylphenyl)urea
CID 86191002
1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 2813478
1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea
CID 108869034
2-(2-hydroxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 80723230
2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide
CID 25049375

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea (CID 68630610) is 1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2I)cc1.
What is the InChIKey of 1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is NGVWHDHNIVFQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IN3O3S/c14-11-3-1-2-4-12(11)17-13(18)16-9-5-7-10(8-6-9)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18).
What are the key properties of 1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea?
1-(2-iodophenyl)-3-(4-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-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 68630610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).