sulfamoylsulfonylurea

CH5N3O5S2 — CID 54118048

IUPACsulfamoylsulfonylurea
SMILESNC(=O)NS(=O)(=O)S(N)(=O)=O
InChIInChI=1S/CH5N3O5S2/c2-1(5)4-11(8,9)10(3,6)7/h(H3,2,4,5)(H2,3,6,7)
InChIKeyNLSNSCNICKQIGJ-UHFFFAOYSA-N
MW203.20 g/mol
LogP-2.81
Rot. Bonds2

About sulfamoylsulfonylurea

sulfamoylsulfonylurea (PubChem CID 54118048) has the molecular formula CH5N3O5S2 and a molecular weight of 203.20 g/mol. Its IUPAC name is sulfamoylsulfonylurea.

Molecular Properties

Compound Namesulfamoylsulfonylurea
PubChem CID54118048
Molecular FormulaCH5N3O5S2
Molecular Weight203.20 g/mol
Exact Mass202.97
IUPAC Namesulfamoylsulfonylurea
SMILESNC(=O)NS(=O)(=O)S(N)(=O)=O
InChIInChI=1S/CH5N3O5S2/c2-1(5)4-11(8,9)10(3,6)7/h(H3,2,4,5)(H2,3,6,7)
InChIKeyNLSNSCNICKQIGJ-UHFFFAOYSA-N
XLogP-2.81
TPSA149.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-2.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze sulfamoylsulfonylurea 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 sulfamoylsulfonylurea?
The IUPAC name of sulfamoylsulfonylurea (CID 54118048) is sulfamoylsulfonylurea.
What is the SMILES notation for sulfamoylsulfonylurea?
The canonical SMILES for sulfamoylsulfonylurea is NC(=O)NS(=O)(=O)S(N)(=O)=O.
What is the InChIKey of sulfamoylsulfonylurea?
The InChIKey is NLSNSCNICKQIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N3O5S2/c2-1(5)4-11(8,9)10(3,6)7/h(H3,2,4,5)(H2,3,6,7).
What are the key properties of sulfamoylsulfonylurea?
sulfamoylsulfonylurea has a molecular weight of 203.20 g/mol, XLogP of -2.81, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sulfamoylsulfonylurea is sourced from PubChem (CID 54118048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).