1-(benzenesulfonamido)-3-methylurea

C8H11N3O3S — CID 47173653

IUPAC1-(benzenesulfonamido)-3-methylurea
SMILESCNC(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H11N3O3S/c1-9-8(12)10-11-15(13,14)7-5-3-2-4-6-7/h2-6,11H,1H3,(H2,9,10,12)
InChIKeyJYLYIOAHOFIHNW-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.19
Rot. Bonds3

About 1-(benzenesulfonamido)-3-methylurea

1-(benzenesulfonamido)-3-methylurea (PubChem CID 47173653) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 1-(benzenesulfonamido)-3-methylurea.

Molecular Properties

Compound Name1-(benzenesulfonamido)-3-methylurea
PubChem CID47173653
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name1-(benzenesulfonamido)-3-methylurea
SMILESCNC(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H11N3O3S/c1-9-8(12)10-11-15(13,14)7-5-3-2-4-6-7/h2-6,11H,1H3,(H2,9,10,12)
InChIKeyJYLYIOAHOFIHNW-UHFFFAOYSA-N
XLogP-0.19
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonamido)-3-methylurea?
The IUPAC name of 1-(benzenesulfonamido)-3-methylurea (CID 47173653) is 1-(benzenesulfonamido)-3-methylurea.
What is the SMILES notation for 1-(benzenesulfonamido)-3-methylurea?
The canonical SMILES for 1-(benzenesulfonamido)-3-methylurea is CNC(=O)NNS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonamido)-3-methylurea?
The InChIKey is JYLYIOAHOFIHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-9-8(12)10-11-15(13,14)7-5-3-2-4-6-7/h2-6,11H,1H3,(H2,9,10,12).
What are the key properties of 1-(benzenesulfonamido)-3-methylurea?
1-(benzenesulfonamido)-3-methylurea has a molecular weight of 229.26 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonamido)-3-methylurea is sourced from PubChem (CID 47173653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).