2-hydroxy-4-nitrobenzenesulfonamide

C6H6N2O5S — CID 59020475

IUPAC2-hydroxy-4-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C6H6N2O5S/c7-14(12,13)6-2-1-4(8(10)11)3-5(6)9/h1-3,9H,(H2,7,12,13)
InChIKeyGFDDXSZDOQVYHC-UHFFFAOYSA-N
MW218.19 g/mol
LogP-0.05
Rot. Bonds2

About 2-hydroxy-4-nitrobenzenesulfonamide

2-hydroxy-4-nitrobenzenesulfonamide (PubChem CID 59020475) has the molecular formula C6H6N2O5S and a molecular weight of 218.19 g/mol. Its IUPAC name is 2-hydroxy-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-hydroxy-4-nitrobenzenesulfonamide
PubChem CID59020475
Molecular FormulaC6H6N2O5S
Molecular Weight218.19 g/mol
Exact Mass218.00
IUPAC Name2-hydroxy-4-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C6H6N2O5S/c7-14(12,13)6-2-1-4(8(10)11)3-5(6)9/h1-3,9H,(H2,7,12,13)
InChIKeyGFDDXSZDOQVYHC-UHFFFAOYSA-N
XLogP-0.05
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-nitrobenzenesulfonamide?
The IUPAC name of 2-hydroxy-4-nitrobenzenesulfonamide (CID 59020475) is 2-hydroxy-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-hydroxy-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-hydroxy-4-nitrobenzenesulfonamide is NS(=O)(=O)c1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of 2-hydroxy-4-nitrobenzenesulfonamide?
The InChIKey is GFDDXSZDOQVYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O5S/c7-14(12,13)6-2-1-4(8(10)11)3-5(6)9/h1-3,9H,(H2,7,12,13).
What are the key properties of 2-hydroxy-4-nitrobenzenesulfonamide?
2-hydroxy-4-nitrobenzenesulfonamide has a molecular weight of 218.19 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-nitrobenzenesulfonamide is sourced from PubChem (CID 59020475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).