N'-(4-sulfamoylphenyl)ethanimidamide;hydrobromide

C8H12BrN3O2S — CID 45261186

IUPACN'-(4-sulfamoylphenyl)ethanimidamide;hydrobromide
SMILESBr.C/C(N)=N\c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H11N3O2S.BrH/c1-6(9)11-7-2-4-8(5-3-7)14(10,12)13;/h2-5H,1H3,(H2,9,11)(H2,10,12,13);1H
InChIKeyIEDKKPCUUOHCKN-UHFFFAOYSA-N
MW294.17 g/mol
LogP0.92
Rot. Bonds2

About N'-(4-sulfamoylphenyl)ethanimidamide;hydrobromide

N'-(4-sulfamoylphenyl)ethanimidamide;hydrobromide (PubChem CID 45261186) has the molecular formula C8H12BrN3O2S and a molecular weight of 294.17 g/mol. Its IUPAC name is N'-(4-sulfamoylphenyl)ethanimidamide;hydrobromide.

Molecular Properties

Compound NameN'-(4-sulfamoylphenyl)ethanimidamide;hydrobromide
PubChem CID45261186
Molecular FormulaC8H12BrN3O2S
Molecular Weight294.17 g/mol
Exact Mass292.98
IUPAC NameN'-(4-sulfamoylphenyl)ethanimidamide;hydrobromide
SMILESBr.C/C(N)=N\c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H11N3O2S.BrH/c1-6(9)11-7-2-4-8(5-3-7)14(10,12)13;/h2-5H,1H3,(H2,9,11)(H2,10,12,13);1H
InChIKeyIEDKKPCUUOHCKN-UHFFFAOYSA-N
XLogP0.92
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-sulfamoylphenyl)ethanimidamide;hydrobromide?
The IUPAC name of N'-(4-sulfamoylphenyl)ethanimidamide;hydrobromide (CID 45261186) is N'-(4-sulfamoylphenyl)ethanimidamide;hydrobromide.
What is the SMILES notation for N'-(4-sulfamoylphenyl)ethanimidamide;hydrobromide?
The canonical SMILES for N'-(4-sulfamoylphenyl)ethanimidamide;hydrobromide is Br.C/C(N)=N\c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N'-(4-sulfamoylphenyl)ethanimidamide;hydrobromide?
The InChIKey is IEDKKPCUUOHCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S.BrH/c1-6(9)11-7-2-4-8(5-3-7)14(10,12)13;/h2-5H,1H3,(H2,9,11)(H2,10,12,13);1H.
What are the key properties of N'-(4-sulfamoylphenyl)ethanimidamide;hydrobromide?
N'-(4-sulfamoylphenyl)ethanimidamide;hydrobromide has a molecular weight of 294.17 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-sulfamoylphenyl)ethanimidamide;hydrobromide is sourced from PubChem (CID 45261186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).