8-nitronaphthalene-1-sulfonohydrazide

C10H9N3O4S — CID 155193917

IUPAC8-nitronaphthalene-1-sulfonohydrazide
SMILESNNS(=O)(=O)c1cccc2cccc([N+](=O)[O-])c12
InChIInChI=1S/C10H9N3O4S/c11-12-18(16,17)9-6-2-4-7-3-1-5-8(10(7)9)13(14)15/h1-6,12H,11H2
InChIKeyDQNAXKOVQBEMLS-UHFFFAOYSA-N
MW267.27 g/mol
LogP0.90
Rot. Bonds3

About 8-nitronaphthalene-1-sulfonohydrazide

8-nitronaphthalene-1-sulfonohydrazide (PubChem CID 155193917) has the molecular formula C10H9N3O4S and a molecular weight of 267.27 g/mol. Its IUPAC name is 8-nitronaphthalene-1-sulfonohydrazide.

Molecular Properties

Compound Name8-nitronaphthalene-1-sulfonohydrazide
PubChem CID155193917
Molecular FormulaC10H9N3O4S
Molecular Weight267.27 g/mol
Exact Mass267.03
IUPAC Name8-nitronaphthalene-1-sulfonohydrazide
SMILESNNS(=O)(=O)c1cccc2cccc([N+](=O)[O-])c12
InChIInChI=1S/C10H9N3O4S/c11-12-18(16,17)9-6-2-4-7-3-1-5-8(10(7)9)13(14)15/h1-6,12H,11H2
InChIKeyDQNAXKOVQBEMLS-UHFFFAOYSA-N
XLogP0.90
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-(8-nitronaphthalen-1-yl)sulfonylurea
CID 13103094
ethane;8-nitronaphthalen-1-amine
CID 143448264
2,4-dinitrobenzenesulfonohydrazide
CID 12561635
4-nitrophenanthrene
CID 139058403
N-naphthalen-1-yl-2-nitrobenzenesulfonamide
CID 681787
1-nitro-2-(2-nitrophenyl)sulfonylsulfonylbenzene
CID 54533031
hydrazine;1,2,3-trinitrobenzene
CID 174855794
1,5,9-trinitrotriphenylene
CID 86227277
N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 3266243
2-methyl-1-methylsulfonyl-3-nitrobenzene
CID 11746002
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
N-(3-methylpentan-3-yl)-2-nitrobenzenesulfonamide
CID 56805607

Frequently Asked Questions

What is the IUPAC name of 8-nitronaphthalene-1-sulfonohydrazide?
The IUPAC name of 8-nitronaphthalene-1-sulfonohydrazide (CID 155193917) is 8-nitronaphthalene-1-sulfonohydrazide.
What is the SMILES notation for 8-nitronaphthalene-1-sulfonohydrazide?
The canonical SMILES for 8-nitronaphthalene-1-sulfonohydrazide is NNS(=O)(=O)c1cccc2cccc([N+](=O)[O-])c12.
What is the InChIKey of 8-nitronaphthalene-1-sulfonohydrazide?
The InChIKey is DQNAXKOVQBEMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S/c11-12-18(16,17)9-6-2-4-7-3-1-5-8(10(7)9)13(14)15/h1-6,12H,11H2.
What are the key properties of 8-nitronaphthalene-1-sulfonohydrazide?
8-nitronaphthalene-1-sulfonohydrazide has a molecular weight of 267.27 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitronaphthalene-1-sulfonohydrazide is sourced from PubChem (CID 155193917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).