2-amino-4-sulfamoylbenzamide

C7H9N3O3S — CID 22323997

IUPAC2-amino-4-sulfamoylbenzamide
SMILESNC(=O)c1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C7H9N3O3S/c8-6-3-4(14(10,12)13)1-2-5(6)7(9)11/h1-3H,8H2,(H2,9,11)(H2,10,12,13)
InChIKeyMVFAJHHGYOGSHI-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.98
Rot. Bonds2

About 2-amino-4-sulfamoylbenzamide

2-amino-4-sulfamoylbenzamide (PubChem CID 22323997) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-amino-4-sulfamoylbenzamide.

Molecular Properties

Compound Name2-amino-4-sulfamoylbenzamide
PubChem CID22323997
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Name2-amino-4-sulfamoylbenzamide
SMILESNC(=O)c1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C7H9N3O3S/c8-6-3-4(14(10,12)13)1-2-5(6)7(9)11/h1-3H,8H2,(H2,9,11)(H2,10,12,13)
InChIKeyMVFAJHHGYOGSHI-UHFFFAOYSA-N
XLogP-0.98
TPSA129.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-sulfamoylbenzamide?
The IUPAC name of 2-amino-4-sulfamoylbenzamide (CID 22323997) is 2-amino-4-sulfamoylbenzamide.
What is the SMILES notation for 2-amino-4-sulfamoylbenzamide?
The canonical SMILES for 2-amino-4-sulfamoylbenzamide is NC(=O)c1ccc(S(N)(=O)=O)cc1N.
What is the InChIKey of 2-amino-4-sulfamoylbenzamide?
The InChIKey is MVFAJHHGYOGSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c8-6-3-4(14(10,12)13)1-2-5(6)7(9)11/h1-3H,8H2,(H2,9,11)(H2,10,12,13).
What are the key properties of 2-amino-4-sulfamoylbenzamide?
2-amino-4-sulfamoylbenzamide has a molecular weight of 215.23 g/mol, XLogP of -0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-sulfamoylbenzamide is sourced from PubChem (CID 22323997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).