1-amino-3-(benzenesulfonylimino)urea

C7H8N4O3S — CID 151737279

IUPAC1-amino-3-(benzenesulfonylimino)urea
SMILESNNC(=O)N=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C7H8N4O3S/c8-9-7(12)10-11-15(13,14)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,12)
InChIKeyXBCMBGSUNQVSCV-UHFFFAOYSA-N
MW228.23 g/mol
LogP0.41
Rot. Bonds2

About 1-amino-3-(benzenesulfonylimino)urea

1-amino-3-(benzenesulfonylimino)urea (PubChem CID 151737279) has the molecular formula C7H8N4O3S and a molecular weight of 228.23 g/mol. Its IUPAC name is 1-amino-3-(benzenesulfonylimino)urea.

Molecular Properties

Compound Name1-amino-3-(benzenesulfonylimino)urea
PubChem CID151737279
Molecular FormulaC7H8N4O3S
Molecular Weight228.23 g/mol
Exact Mass228.03
IUPAC Name1-amino-3-(benzenesulfonylimino)urea
SMILESNNC(=O)N=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C7H8N4O3S/c8-9-7(12)10-11-15(13,14)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,12)
InChIKeyXBCMBGSUNQVSCV-UHFFFAOYSA-N
XLogP0.41
TPSA113.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(benzenesulfonylimino)urea?
The IUPAC name of 1-amino-3-(benzenesulfonylimino)urea (CID 151737279) is 1-amino-3-(benzenesulfonylimino)urea.
What is the SMILES notation for 1-amino-3-(benzenesulfonylimino)urea?
The canonical SMILES for 1-amino-3-(benzenesulfonylimino)urea is NNC(=O)N=NS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-amino-3-(benzenesulfonylimino)urea?
The InChIKey is XBCMBGSUNQVSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3S/c8-9-7(12)10-11-15(13,14)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,12).
What are the key properties of 1-amino-3-(benzenesulfonylimino)urea?
1-amino-3-(benzenesulfonylimino)urea has a molecular weight of 228.23 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(benzenesulfonylimino)urea is sourced from PubChem (CID 151737279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).