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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL68253
CHEMBL68253
Compound Name SULFAMATE
ChEMBL Synonyms Sodium Sulfimidate | Sulfamic Acid | Sodium Sulfamate
Max Phase 0
Trade Names
Molecular Formula H3NO3S

Additional synonyms for CHEMBL68253 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NS(=O)(=O)O
Standard InChI InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
Standard InChI Key IIACRCGMVDHOTQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL68253

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
97.1 96.9834 -1.24 0 88.77 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-8.53 - -1.31 -4.81 0 5 0.37

Structural Alerts

There are 3 structural alerts for CHEMBL68253. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IIACRCGMVDHOTQ-UHFFFAOYSA-N
PubChem SID: 144209103 SID: 144213791 SID: 17388719
Wikipedia Sulfamic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL68253



ACToR 5329-14-6
BindingDB 26994
Brenda 5407
ChEBI 9330
eMolecules 476682
EPA CompTox Dashboard DTXSID6034005
FDA SRS 9NFU33906Q
Human Metabolome Database HMDB0034830
Mcule MCULE-8047713803
MolPort MolPort-001-790-656
Nikkaji J43.594E
PubChem 5987 19366655
PubChem: Thomson Pharma 14818095
SureChEMBL SCHEMBL11400
ZINC ZINC000238809066

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/IIACRCGMVDHOTQ-UHFFFAOYSA-N spacer
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