4-nitro-N'-(3-nitro-2-pyridinyl)benzenesulfonohydrazide

C11H9N5O6S — CID 5052243

IUPAC4-nitro-N'-(3-nitro-2-pyridinyl)benzenesulfonohydrazide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NNc2ncccc2[N+](=O)[O-])cc1
InChIInChI=1S/C11H9N5O6S/c17-15(18)8-3-5-9(6-4-8)23(21,22)14-13-11-10(16(19)20)2-1-7-12-11/h1-7,14H,(H,12,13)
InChIKeyDBHOSRFNDMWFBP-UHFFFAOYSA-N
MW339.29 g/mol
LogP1.20
Rot. Bonds6

About 4-nitro-N'-(3-nitro-2-pyridinyl)benzenesulfonohydrazide

4-nitro-N'-(3-nitro-2-pyridinyl)benzenesulfonohydrazide (PubChem CID 5052243) has the molecular formula C11H9N5O6S and a molecular weight of 339.29 g/mol. Its IUPAC name is 4-nitro-N'-(3-nitro-2-pyridinyl)benzenesulfonohydrazide.

Molecular Properties

Compound Name4-nitro-N'-(3-nitro-2-pyridinyl)benzenesulfonohydrazide
PubChem CID5052243
Molecular FormulaC11H9N5O6S
Molecular Weight339.29 g/mol
Exact Mass339.03
IUPAC Name4-nitro-N'-(3-nitro-2-pyridinyl)benzenesulfonohydrazide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NNc2ncccc2[N+](=O)[O-])cc1
InChIInChI=1S/C11H9N5O6S/c17-15(18)8-3-5-9(6-4-8)23(21,22)14-13-11-10(16(19)20)2-1-7-12-11/h1-7,14H,(H,12,13)
InChIKeyDBHOSRFNDMWFBP-UHFFFAOYSA-N
XLogP1.20
TPSA157.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-nitro-N'-(3-nitro-2-pyridinyl)benzenesulfonohydrazide?
The IUPAC name of 4-nitro-N'-(3-nitro-2-pyridinyl)benzenesulfonohydrazide (CID 5052243) is 4-nitro-N'-(3-nitro-2-pyridinyl)benzenesulfonohydrazide.
What is the SMILES notation for 4-nitro-N'-(3-nitro-2-pyridinyl)benzenesulfonohydrazide?
The canonical SMILES for 4-nitro-N'-(3-nitro-2-pyridinyl)benzenesulfonohydrazide is O=[N+]([O-])c1ccc(S(=O)(=O)NNc2ncccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N'-(3-nitro-2-pyridinyl)benzenesulfonohydrazide?
The InChIKey is DBHOSRFNDMWFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O6S/c17-15(18)8-3-5-9(6-4-8)23(21,22)14-13-11-10(16(19)20)2-1-7-12-11/h1-7,14H,(H,12,13).
What are the key properties of 4-nitro-N'-(3-nitro-2-pyridinyl)benzenesulfonohydrazide?
4-nitro-N'-(3-nitro-2-pyridinyl)benzenesulfonohydrazide has a molecular weight of 339.29 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N'-(3-nitro-2-pyridinyl)benzenesulfonohydrazide is sourced from PubChem (CID 5052243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).