2,4-dinitrobenzenesulfonohydrazide

C6H6N4O6S — CID 12561635

IUPAC2,4-dinitrobenzenesulfonohydrazide
SMILESNNS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C6H6N4O6S/c7-8-17(15,16)6-2-1-4(9(11)12)3-5(6)10(13)14/h1-3,8H,7H2
InChIKeyOEIFSMDIUWGNCS-UHFFFAOYSA-N
MW262.20 g/mol
LogP-0.34
Rot. Bonds4

About 2,4-dinitrobenzenesulfonohydrazide

2,4-dinitrobenzenesulfonohydrazide (PubChem CID 12561635) has the molecular formula C6H6N4O6S and a molecular weight of 262.20 g/mol. Its IUPAC name is 2,4-dinitrobenzenesulfonohydrazide.

Molecular Properties

Compound Name2,4-dinitrobenzenesulfonohydrazide
PubChem CID12561635
Molecular FormulaC6H6N4O6S
Molecular Weight262.20 g/mol
Exact Mass262.00
IUPAC Name2,4-dinitrobenzenesulfonohydrazide
SMILESNNS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C6H6N4O6S/c7-8-17(15,16)6-2-1-4(9(11)12)3-5(6)10(13)14/h1-3,8H,7H2
InChIKeyOEIFSMDIUWGNCS-UHFFFAOYSA-N
XLogP-0.34
TPSA158.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,4-dinitro-1-(4-nitrophenyl)sulfonylbenzene
CID 611987
(2,4-dinitrophenyl)sulfonylazanide;yttrium
CID 58710597
iodo 2,4-dinitrobenzenesulfonate
CID 141193318
2,4-dinitro-1-(trinitromethylsulfonyl)benzene
CID 71443667
2,4-dinitro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 14616990
2-(2,4-dinitrophenyl)sulfonylbenzene-1,3-diamine
CID 175087737
2,4-dinitro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 71606096
2,4-dinitroaniline;sulfuric acid
CID 174852217
2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 43142196
benzene;(2,4-dinitrophenyl)hydrazine
CID 159646359
2-chloroethyl 2,4-dinitrobenzenesulfonate
CID 4139852
8-nitronaphthalene-1-sulfonohydrazide
CID 155193917

Frequently Asked Questions

What is the IUPAC name of 2,4-dinitrobenzenesulfonohydrazide?
The IUPAC name of 2,4-dinitrobenzenesulfonohydrazide (CID 12561635) is 2,4-dinitrobenzenesulfonohydrazide.
What is the SMILES notation for 2,4-dinitrobenzenesulfonohydrazide?
The canonical SMILES for 2,4-dinitrobenzenesulfonohydrazide is NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2,4-dinitrobenzenesulfonohydrazide?
The InChIKey is OEIFSMDIUWGNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O6S/c7-8-17(15,16)6-2-1-4(9(11)12)3-5(6)10(13)14/h1-3,8H,7H2.
What are the key properties of 2,4-dinitrobenzenesulfonohydrazide?
2,4-dinitrobenzenesulfonohydrazide has a molecular weight of 262.20 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinitrobenzenesulfonohydrazide is sourced from PubChem (CID 12561635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).