N-hydroxy-3-(methanesulfonamidosulfamoyl)benzeneamine oxide

C7H11N3O6S2 — CID 21141820

IUPACN-hydroxy-3-(methanesulfonamidosulfamoyl)benzeneamine oxide
SMILESCS(=O)(=O)NNS(=O)(=O)c1cccc([NH+]([O-])O)c1
InChIInChI=1S/C7H11N3O6S2/c1-17(13,14)8-9-18(15,16)7-4-2-3-6(5-7)10(11)12/h2-5,8-11H,1H3
InChIKeyBUDFAXKUQARYRN-UHFFFAOYSA-N
MW297.31 g/mol
LogP-2.17
Rot. Bonds5

About N-hydroxy-3-(methanesulfonamidosulfamoyl)benzeneamine oxide

N-hydroxy-3-(methanesulfonamidosulfamoyl)benzeneamine oxide (PubChem CID 21141820) has the molecular formula C7H11N3O6S2 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-hydroxy-3-(methanesulfonamidosulfamoyl)benzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-3-(methanesulfonamidosulfamoyl)benzeneamine oxide
PubChem CID21141820
Molecular FormulaC7H11N3O6S2
Molecular Weight297.31 g/mol
Exact Mass297.01
IUPAC NameN-hydroxy-3-(methanesulfonamidosulfamoyl)benzeneamine oxide
SMILESCS(=O)(=O)NNS(=O)(=O)c1cccc([NH+]([O-])O)c1
InChIInChI=1S/C7H11N3O6S2/c1-17(13,14)8-9-18(15,16)7-4-2-3-6(5-7)10(11)12/h2-5,8-11H,1H3
InChIKeyBUDFAXKUQARYRN-UHFFFAOYSA-N
XLogP-2.17
TPSA140.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-2.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(methanesulfonamidosulfamoyl)benzeneamine oxide?
The IUPAC name of N-hydroxy-3-(methanesulfonamidosulfamoyl)benzeneamine oxide (CID 21141820) is N-hydroxy-3-(methanesulfonamidosulfamoyl)benzeneamine oxide.
What is the SMILES notation for N-hydroxy-3-(methanesulfonamidosulfamoyl)benzeneamine oxide?
The canonical SMILES for N-hydroxy-3-(methanesulfonamidosulfamoyl)benzeneamine oxide is CS(=O)(=O)NNS(=O)(=O)c1cccc([NH+]([O-])O)c1.
What is the InChIKey of N-hydroxy-3-(methanesulfonamidosulfamoyl)benzeneamine oxide?
The InChIKey is BUDFAXKUQARYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O6S2/c1-17(13,14)8-9-18(15,16)7-4-2-3-6(5-7)10(11)12/h2-5,8-11H,1H3.
What are the key properties of N-hydroxy-3-(methanesulfonamidosulfamoyl)benzeneamine oxide?
N-hydroxy-3-(methanesulfonamidosulfamoyl)benzeneamine oxide has a molecular weight of 297.31 g/mol, XLogP of -2.17, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(methanesulfonamidosulfamoyl)benzeneamine oxide is sourced from PubChem (CID 21141820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).