4-hydroxy-3,5-dinitrobenzenesulfonamide

C6H5N3O7S — CID 139597735

IUPAC4-hydroxy-3,5-dinitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C6H5N3O7S/c7-17(15,16)3-1-4(8(11)12)6(10)5(2-3)9(13)14/h1-2,10H,(H2,7,15,16)
InChIKeyWTBOJVLMXJUMCK-UHFFFAOYSA-N
MW263.19 g/mol
LogP-0.14
Rot. Bonds3

About 4-hydroxy-3,5-dinitrobenzenesulfonamide

4-hydroxy-3,5-dinitrobenzenesulfonamide (PubChem CID 139597735) has the molecular formula C6H5N3O7S and a molecular weight of 263.19 g/mol. Its IUPAC name is 4-hydroxy-3,5-dinitrobenzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-3,5-dinitrobenzenesulfonamide
PubChem CID139597735
Molecular FormulaC6H5N3O7S
Molecular Weight263.19 g/mol
Exact Mass262.98
IUPAC Name4-hydroxy-3,5-dinitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C6H5N3O7S/c7-17(15,16)3-1-4(8(11)12)6(10)5(2-3)9(13)14/h1-2,10H,(H2,7,15,16)
InChIKeyWTBOJVLMXJUMCK-UHFFFAOYSA-N
XLogP-0.14
TPSA166.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 4-hydroxy-3,5-dinitrobenzenesulfonamide?
The IUPAC name of 4-hydroxy-3,5-dinitrobenzenesulfonamide (CID 139597735) is 4-hydroxy-3,5-dinitrobenzenesulfonamide.
What is the SMILES notation for 4-hydroxy-3,5-dinitrobenzenesulfonamide?
The canonical SMILES for 4-hydroxy-3,5-dinitrobenzenesulfonamide is NS(=O)(=O)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydroxy-3,5-dinitrobenzenesulfonamide?
The InChIKey is WTBOJVLMXJUMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O7S/c7-17(15,16)3-1-4(8(11)12)6(10)5(2-3)9(13)14/h1-2,10H,(H2,7,15,16).
What are the key properties of 4-hydroxy-3,5-dinitrobenzenesulfonamide?
4-hydroxy-3,5-dinitrobenzenesulfonamide has a molecular weight of 263.19 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-dinitrobenzenesulfonamide is sourced from PubChem (CID 139597735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).