[benzenesulfonyl(methyl)amino]urea

C8H11N3O3S — CID 172749121

IUPAC[benzenesulfonyl(methyl)amino]urea
SMILESCN(NC(N)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C8H11N3O3S/c1-11(10-8(9)12)15(13,14)7-5-3-2-4-6-7/h2-6H,1H3,(H3,9,10,12)
InChIKeyKDAYXYDLSHOKBG-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.11
Rot. Bonds3

About [benzenesulfonyl(methyl)amino]urea

[benzenesulfonyl(methyl)amino]urea (PubChem CID 172749121) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is [benzenesulfonyl(methyl)amino]urea.

Molecular Properties

Compound Name[benzenesulfonyl(methyl)amino]urea
PubChem CID172749121
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name[benzenesulfonyl(methyl)amino]urea
SMILESCN(NC(N)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C8H11N3O3S/c1-11(10-8(9)12)15(13,14)7-5-3-2-4-6-7/h2-6H,1H3,(H3,9,10,12)
InChIKeyKDAYXYDLSHOKBG-UHFFFAOYSA-N
XLogP-0.11
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [benzenesulfonyl(methyl)amino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [benzenesulfonyl(methyl)amino]urea?
The IUPAC name of [benzenesulfonyl(methyl)amino]urea (CID 172749121) is [benzenesulfonyl(methyl)amino]urea.
What is the SMILES notation for [benzenesulfonyl(methyl)amino]urea?
The canonical SMILES for [benzenesulfonyl(methyl)amino]urea is CN(NC(N)=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of [benzenesulfonyl(methyl)amino]urea?
The InChIKey is KDAYXYDLSHOKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-11(10-8(9)12)15(13,14)7-5-3-2-4-6-7/h2-6H,1H3,(H3,9,10,12).
What are the key properties of [benzenesulfonyl(methyl)amino]urea?
[benzenesulfonyl(methyl)amino]urea has a molecular weight of 229.26 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [benzenesulfonyl(methyl)amino]urea is sourced from PubChem (CID 172749121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).