N'-methyl-3-nitrobenzenesulfonohydrazide

C7H9N3O4S — CID 67127032

IUPACN'-methyl-3-nitrobenzenesulfonohydrazide
SMILESCNNS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C7H9N3O4S/c1-8-9-15(13,14)7-4-2-3-6(5-7)10(11)12/h2-5,8-9H,1H3
InChIKeyMDLXWUQMOOWDCJ-UHFFFAOYSA-N
MW231.23 g/mol
LogP0.01
Rot. Bonds4

About N'-methyl-3-nitrobenzenesulfonohydrazide

N'-methyl-3-nitrobenzenesulfonohydrazide (PubChem CID 67127032) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is N'-methyl-3-nitrobenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-methyl-3-nitrobenzenesulfonohydrazide
PubChem CID67127032
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC NameN'-methyl-3-nitrobenzenesulfonohydrazide
SMILESCNNS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C7H9N3O4S/c1-8-9-15(13,14)7-4-2-3-6(5-7)10(11)12/h2-5,8-9H,1H3
InChIKeyMDLXWUQMOOWDCJ-UHFFFAOYSA-N
XLogP0.01
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 50.01
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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Related Compounds

N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide
CID 100974954
silver 3-nitrobenzenesulfonate
CID 139842266
N-(4-methylphenyl)-3-nitrobenzenesulfonamide;hydrate
CID 90481492
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-nitrobenzenesulfonamide
CID 104626488
3-nitrobenzenesulfonic acid
CID 7387
3-nitro-N-pyridin-1-ium-1-ylbenzenesulfonamide
CID 135121721
N-(4-hydroxy-3-methylphenyl)-3-nitrobenzenesulfonamide
CID 2906277
N-(2,3-dimethylphenyl)-3-nitrobenzenesulfonamide
CID 22773660
(2S)-2-[(3-nitrophenyl)sulfonylamino]propanoic acid
CID 30080051
N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 65112756
2-[(3-nitrophenyl)sulfonylamino]propanoic acid
CID 16785952
N-(4-bromophenyl)-3-nitrobenzenesulfonamide
CID 598510

Frequently Asked Questions

What is the IUPAC name of N'-methyl-3-nitrobenzenesulfonohydrazide?
The IUPAC name of N'-methyl-3-nitrobenzenesulfonohydrazide (CID 67127032) is N'-methyl-3-nitrobenzenesulfonohydrazide.
What is the SMILES notation for N'-methyl-3-nitrobenzenesulfonohydrazide?
The canonical SMILES for N'-methyl-3-nitrobenzenesulfonohydrazide is CNNS(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-methyl-3-nitrobenzenesulfonohydrazide?
The InChIKey is MDLXWUQMOOWDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4S/c1-8-9-15(13,14)7-4-2-3-6(5-7)10(11)12/h2-5,8-9H,1H3.
What are the key properties of N'-methyl-3-nitrobenzenesulfonohydrazide?
N'-methyl-3-nitrobenzenesulfonohydrazide has a molecular weight of 231.23 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3-nitrobenzenesulfonohydrazide is sourced from PubChem (CID 67127032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).