1-(furan-2-yl)-3-(4-sulfamoylphenyl)urea

C11H11N3O4S — CID 108868382

IUPAC1-(furan-2-yl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccco2)cc1
InChIInChI=1S/C11H11N3O4S/c12-19(16,17)9-5-3-8(4-6-9)13-11(15)14-10-2-1-7-18-10/h1-7H,(H2,12,16,17)(H2,13,14,15)
InChIKeyFIOLIEJMVGINIX-UHFFFAOYSA-N
MW281.29 g/mol
LogP1.57
Rot. Bonds3

About 1-(furan-2-yl)-3-(4-sulfamoylphenyl)urea

1-(furan-2-yl)-3-(4-sulfamoylphenyl)urea (PubChem CID 108868382) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(4-sulfamoylphenyl)urea
PubChem CID108868382
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name1-(furan-2-yl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccco2)cc1
InChIInChI=1S/C11H11N3O4S/c12-19(16,17)9-5-3-8(4-6-9)13-11(15)14-10-2-1-7-18-10/h1-7H,(H2,12,16,17)(H2,13,14,15)
InChIKeyFIOLIEJMVGINIX-UHFFFAOYSA-N
XLogP1.57
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(furan-2-yl)-3-(4-sulfamoylphenyl)urea (CID 108868382) is 1-(furan-2-yl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(furan-2-yl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(furan-2-yl)-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)Nc2ccco2)cc1.
What is the InChIKey of 1-(furan-2-yl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is FIOLIEJMVGINIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c12-19(16,17)9-5-3-8(4-6-9)13-11(15)14-10-2-1-7-18-10/h1-7H,(H2,12,16,17)(H2,13,14,15).
What are the key properties of 1-(furan-2-yl)-3-(4-sulfamoylphenyl)urea?
1-(furan-2-yl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 281.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 108868382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).