sodium 2-amino-4-sulfamoylphenolate

C6H7N2NaO3S — CID 102504170

IUPACsodium 2-amino-4-sulfamoylphenolate
SMILESNc1cc(S(N)(=O)=O)ccc1[O-].[Na+]
InChIInChI=1S/C6H8N2O3S.Na/c7-5-3-4(12(8,10)11)1-2-6(5)9;/h1-3,9H,7H2,(H2,8,10,11);/q;+1/p-1
InChIKeyAIPHMTDLICSNMP-UHFFFAOYSA-M
MW210.19 g/mol
LogP-4.01
Rot. Bonds1

About sodium 2-amino-4-sulfamoylphenolate

sodium 2-amino-4-sulfamoylphenolate (PubChem CID 102504170) has the molecular formula C6H7N2NaO3S and a molecular weight of 210.19 g/mol. Its IUPAC name is sodium 2-amino-4-sulfamoylphenolate.

Molecular Properties

Compound Namesodium 2-amino-4-sulfamoylphenolate
PubChem CID102504170
Molecular FormulaC6H7N2NaO3S
Molecular Weight210.19 g/mol
Exact Mass210.01
IUPAC Namesodium 2-amino-4-sulfamoylphenolate
SMILESNc1cc(S(N)(=O)=O)ccc1[O-].[Na+]
InChIInChI=1S/C6H8N2O3S.Na/c7-5-3-4(12(8,10)11)1-2-6(5)9;/h1-3,9H,7H2,(H2,8,10,11);/q;+1/p-1
InChIKeyAIPHMTDLICSNMP-UHFFFAOYSA-M
XLogP-4.01
TPSA109.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-4.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-sulfanylbenzenesulfonamide
CID 43298928
2-amino-4-sulfamoylbenzenesulfonic acid
CID 152765505
3-amino-4-(hydroxymethyl)benzenesulfonamide
CID 67323774
sodium;4-aminobenzenesulfonamide;hydride
CID 173094657
3-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzenesulfonamide
CID 61347463
3-amino-4-ethylsulfanylbenzenesulfonamide
CID 43153489
3-amino-4-(propan-2-ylamino)benzenesulfonamide
CID 43153415
benzene-1,3-disulfonamide
CID 3090044
4-amino-3-cyanobenzenesulfonamide
CID 45080631
3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzenesulfonamide
CID 43581395
4-amino-3-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide
CID 82898319
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-aminobenzenesulfonamide
CID 43620180

Frequently Asked Questions

What is the IUPAC name of sodium 2-amino-4-sulfamoylphenolate?
The IUPAC name of sodium 2-amino-4-sulfamoylphenolate (CID 102504170) is sodium 2-amino-4-sulfamoylphenolate.
What is the SMILES notation for sodium 2-amino-4-sulfamoylphenolate?
The canonical SMILES for sodium 2-amino-4-sulfamoylphenolate is Nc1cc(S(N)(=O)=O)ccc1[O-].[Na+].
What is the InChIKey of sodium 2-amino-4-sulfamoylphenolate?
The InChIKey is AIPHMTDLICSNMP-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N2O3S.Na/c7-5-3-4(12(8,10)11)1-2-6(5)9;/h1-3,9H,7H2,(H2,8,10,11);/q;+1/p-1.
What are the key properties of sodium 2-amino-4-sulfamoylphenolate?
sodium 2-amino-4-sulfamoylphenolate has a molecular weight of 210.19 g/mol, XLogP of -4.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-amino-4-sulfamoylphenolate is sourced from PubChem (CID 102504170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).