3-(benzenesulfonamido)-1,1-dimethylurea

C9H13N3O3S — CID 102062156

IUPAC3-(benzenesulfonamido)-1,1-dimethylurea
SMILESCN(C)C(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H13N3O3S/c1-12(2)9(13)10-11-16(14,15)8-6-4-3-5-7-8/h3-7,11H,1-2H3,(H,10,13)
InChIKeyATERAPDSKVBHDJ-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.15
Rot. Bonds3

About 3-(benzenesulfonamido)-1,1-dimethylurea

3-(benzenesulfonamido)-1,1-dimethylurea (PubChem CID 102062156) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(benzenesulfonamido)-1,1-dimethylurea
PubChem CID102062156
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name3-(benzenesulfonamido)-1,1-dimethylurea
SMILESCN(C)C(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H13N3O3S/c1-12(2)9(13)10-11-16(14,15)8-6-4-3-5-7-8/h3-7,11H,1-2H3,(H,10,13)
InChIKeyATERAPDSKVBHDJ-UHFFFAOYSA-N
XLogP0.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(benzenesulfonamido)-1,1-dimethylurea 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 3-(benzenesulfonamido)-1,1-dimethylurea?
The IUPAC name of 3-(benzenesulfonamido)-1,1-dimethylurea (CID 102062156) is 3-(benzenesulfonamido)-1,1-dimethylurea.
What is the SMILES notation for 3-(benzenesulfonamido)-1,1-dimethylurea?
The canonical SMILES for 3-(benzenesulfonamido)-1,1-dimethylurea is CN(C)C(=O)NNS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)-1,1-dimethylurea?
The InChIKey is ATERAPDSKVBHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-12(2)9(13)10-11-16(14,15)8-6-4-3-5-7-8/h3-7,11H,1-2H3,(H,10,13).
What are the key properties of 3-(benzenesulfonamido)-1,1-dimethylurea?
3-(benzenesulfonamido)-1,1-dimethylurea has a molecular weight of 243.29 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-1,1-dimethylurea is sourced from PubChem (CID 102062156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).