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

C9H11N3O4S — CID 146027008

IUPAC1-(2-oxoethyl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NCC=O)cc1
InChIInChI=1S/C9H11N3O4S/c10-17(15,16)8-3-1-7(2-4-8)12-9(14)11-5-6-13/h1-4,6H,5H2,(H2,10,15,16)(H2,11,12,14)
InChIKeySBASPVPVAHGNJG-UHFFFAOYSA-N
MW257.27 g/mol
LogP-0.35
Rot. Bonds4

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

1-(2-oxoethyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 146027008) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is 1-(2-oxoethyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(2-oxoethyl)-3-(4-sulfamoylphenyl)urea
PubChem CID146027008
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC Name1-(2-oxoethyl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NCC=O)cc1
InChIInChI=1S/C9H11N3O4S/c10-17(15,16)8-3-1-7(2-4-8)12-9(14)11-5-6-13/h1-4,6H,5H2,(H2,10,15,16)(H2,11,12,14)
InChIKeySBASPVPVAHGNJG-UHFFFAOYSA-N
XLogP-0.35
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea
CID 108894310
2-[(4-sulfamoylphenyl)carbamoylamino]ethyl prop-2-enoate
CID 67140737
1-carbamoyl-3-(4-sulfamoylphenyl)urea
CID 86191002
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea
CID 108892683
1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
2-[[(4-sulfamoylphenyl)carbamoylamino]methyl]butanoic acid
CID 65219240
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
2-methylidene-5-[(4-sulfamoylphenyl)carbamoylamino]pentanoic acid
CID 90311544
1-[(E)-2-methylbut-1-enyl]-3-(4-sulfamoylphenyl)urea
CID 108914242
1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898098
1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898468

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxoethyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(2-oxoethyl)-3-(4-sulfamoylphenyl)urea (CID 146027008) is 1-(2-oxoethyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(2-oxoethyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(2-oxoethyl)-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)NCC=O)cc1.
What is the InChIKey of 1-(2-oxoethyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is SBASPVPVAHGNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4S/c10-17(15,16)8-3-1-7(2-4-8)12-9(14)11-5-6-13/h1-4,6H,5H2,(H2,10,15,16)(H2,11,12,14).
What are the key properties of 1-(2-oxoethyl)-3-(4-sulfamoylphenyl)urea?
1-(2-oxoethyl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 257.27 g/mol, XLogP of -0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxoethyl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 146027008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).