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

C11H16N4O5S — CID 79845633

IUPAC4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N4O5S/c1-14(5-6-21(2,19)20)11(16)8-3-4-9(13-12)10(7-8)15(17)18/h3-4,7,13H,5-6,12H2,1-2H3
InChIKeyJEILMBHDUXPBRV-UHFFFAOYSA-N
MW316.34 g/mol
LogP-0.00
Rot. Bonds6

About 4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide

4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide (PubChem CID 79845633) has the molecular formula C11H16N4O5S and a molecular weight of 316.34 g/mol. Its IUPAC name is 4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide
PubChem CID79845633
Molecular FormulaC11H16N4O5S
Molecular Weight316.34 g/mol
Exact Mass316.08
IUPAC Name4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N4O5S/c1-14(5-6-21(2,19)20)11(16)8-3-4-9(13-12)10(7-8)15(17)18/h3-4,7,13H,5-6,12H2,1-2H3
InChIKeyJEILMBHDUXPBRV-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

4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide
CID 62241366
N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 62236416
4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 62640596
N-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide
CID 62249235
4-hydrazinyl-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 62247819
1-(4-hydrazinyl-3-nitrophenyl)ethanone
CID 54491853
4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide
CID 115987377
4-amino-N-[2-(dimethylamino)ethyl]-N-methyl-3-nitrobenzamide
CID 63727577
4-hydrazinyl-3-nitro-N-propylbenzamide
CID 62237139
3-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-nitrobenzamide
CID 62680724
N-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide
CID 62242335
4-amino-3-chloro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79858160

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide?
The IUPAC name of 4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide (CID 79845633) is 4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide.
What is the SMILES notation for 4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide?
The canonical SMILES for 4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide is CN(CCS(C)(=O)=O)C(=O)c1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide?
The InChIKey is JEILMBHDUXPBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5S/c1-14(5-6-21(2,19)20)11(16)8-3-4-9(13-12)10(7-8)15(17)18/h3-4,7,13H,5-6,12H2,1-2H3.
What are the key properties of 4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide?
4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-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 4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide is sourced from PubChem (CID 79845633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).