3-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-2-nitrobenzamide

C11H16N4O5S — CID 115549688

IUPAC3-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-2-nitrobenzamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O5S/c1-14(6-7-21(2,19)20)11(16)8-4-3-5-9(13-12)10(8)15(17)18/h3-5,13H,6-7,12H2,1-2H3
InChIKeyAKMBKIIKIYTESA-UHFFFAOYSA-N
MW316.34 g/mol
LogP-0.00
Rot. Bonds6

About 3-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-2-nitrobenzamide

3-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-2-nitrobenzamide (PubChem CID 115549688) has the molecular formula C11H16N4O5S and a molecular weight of 316.34 g/mol. Its IUPAC name is 3-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-2-nitrobenzamide.

Molecular Properties

Compound Name3-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-2-nitrobenzamide
PubChem CID115549688
Molecular FormulaC11H16N4O5S
Molecular Weight316.34 g/mol
Exact Mass316.08
IUPAC Name3-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-2-nitrobenzamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O5S/c1-14(6-7-21(2,19)20)11(16)8-4-3-5-9(13-12)10(8)15(17)18/h3-5,13H,6-7,12H2,1-2H3
InChIKeyAKMBKIIKIYTESA-UHFFFAOYSA-N
XLogP-0.00
TPSA135.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.00
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

3-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-2-nitrobenzamide
CID 115549585
4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide
CID 79845633
3-fluoro-2-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79865248
2-chloro-N-methyl-N-(2-methylsulfonylethyl)-3-nitropyridine-4-carboxamide
CID 79208594
3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide
CID 113333609
4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 81249905
3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide
CID 79842599
N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide
CID 115549684
3-[methyl(2-methylsulfonylethyl)amino]-2-nitrobenzoic acid
CID 115542570
N-(3-aminopropyl)-N,3-dimethyl-2-nitrobenzamide
CID 81482524
3-hydrazinyl-N-methyl-2-nitro-N-(thiolan-3-yl)benzamide
CID 115549555
3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 113333584

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-2-nitrobenzamide?
The IUPAC name of 3-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-2-nitrobenzamide (CID 115549688) is 3-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-2-nitrobenzamide.
What is the SMILES notation for 3-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-2-nitrobenzamide?
The canonical SMILES for 3-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-2-nitrobenzamide is CN(CCS(C)(=O)=O)C(=O)c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-2-nitrobenzamide?
The InChIKey is AKMBKIIKIYTESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5S/c1-14(6-7-21(2,19)20)11(16)8-4-3-5-9(13-12)10(8)15(17)18/h3-5,13H,6-7,12H2,1-2H3.
What are the key properties of 3-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-2-nitrobenzamide?
3-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-2-nitrobenzamide has a molecular weight of 316.34 g/mol, XLogP of -0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-2-nitrobenzamide is sourced from PubChem (CID 115549688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).