4-hydrazinyl-2-methyl-N-(2-methylsulfinylethyl)-5-nitrobenzamide

C11H16N4O4S — CID 114271701

IUPAC4-hydrazinyl-2-methyl-N-(2-methylsulfinylethyl)-5-nitrobenzamide
SMILESCc1cc(NN)c([N+](=O)[O-])cc1C(=O)NCCS(C)=O
InChIInChI=1S/C11H16N4O4S/c1-7-5-9(14-12)10(15(17)18)6-8(7)11(16)13-3-4-20(2)19/h5-6,14H,3-4,12H2,1-2H3,(H,13,16)
InChIKeyYJQHLFFTLVVQOR-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.30
Rot. Bonds6

About 4-hydrazinyl-2-methyl-N-(2-methylsulfinylethyl)-5-nitrobenzamide

4-hydrazinyl-2-methyl-N-(2-methylsulfinylethyl)-5-nitrobenzamide (PubChem CID 114271701) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-hydrazinyl-2-methyl-N-(2-methylsulfinylethyl)-5-nitrobenzamide.

Molecular Properties

Compound Name4-hydrazinyl-2-methyl-N-(2-methylsulfinylethyl)-5-nitrobenzamide
PubChem CID114271701
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name4-hydrazinyl-2-methyl-N-(2-methylsulfinylethyl)-5-nitrobenzamide
SMILESCc1cc(NN)c([N+](=O)[O-])cc1C(=O)NCCS(C)=O
InChIInChI=1S/C11H16N4O4S/c1-7-5-9(14-12)10(15(17)18)6-8(7)11(16)13-3-4-20(2)19/h5-6,14H,3-4,12H2,1-2H3,(H,13,16)
InChIKeyYJQHLFFTLVVQOR-UHFFFAOYSA-N
XLogP0.30
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-ethyl-4-hydrazinyl-2-methyl-5-nitro-N-propylbenzamide
CID 114271694
2-(methylamino)-N-(2-methylsulfinylethyl)-5-nitrobenzamide
CID 115616666
4-hydrazinyl-N-(1H-imidazol-2-yl)-2-methyl-5-nitrobenzamide
CID 114271700
4-(methylamino)-N-(3-methylsulfinylpropyl)-3-nitrobenzamide
CID 115621276
4-hydrazinyl-3-nitro-N-propylbenzamide
CID 62237139
2-chloro-5-methyl-N-[2-[(S)-methylsulfinyl]ethyl]-4-nitroaniline
CID 96566408
(4-fluoro-5-methyl-2-nitrophenyl)hydrazine
CID 103591242
3-chloro-N-(2-methylsulfinylethyl)-2-nitrobenzamide
CID 113251513
4-hydrazinyl-3-nitro-N-(4,4,4-trifluorobutyl)benzamide
CID 115522197
N-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide
CID 62249235
N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide
CID 62682518
3-[(2,4-dimethyl-5-nitrobenzoyl)amino]-2-methoxypropanoic acid
CID 122108829

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-2-methyl-N-(2-methylsulfinylethyl)-5-nitrobenzamide?
The IUPAC name of 4-hydrazinyl-2-methyl-N-(2-methylsulfinylethyl)-5-nitrobenzamide (CID 114271701) is 4-hydrazinyl-2-methyl-N-(2-methylsulfinylethyl)-5-nitrobenzamide.
What is the SMILES notation for 4-hydrazinyl-2-methyl-N-(2-methylsulfinylethyl)-5-nitrobenzamide?
The canonical SMILES for 4-hydrazinyl-2-methyl-N-(2-methylsulfinylethyl)-5-nitrobenzamide is Cc1cc(NN)c([N+](=O)[O-])cc1C(=O)NCCS(C)=O.
What is the InChIKey of 4-hydrazinyl-2-methyl-N-(2-methylsulfinylethyl)-5-nitrobenzamide?
The InChIKey is YJQHLFFTLVVQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S/c1-7-5-9(14-12)10(15(17)18)6-8(7)11(16)13-3-4-20(2)19/h5-6,14H,3-4,12H2,1-2H3,(H,13,16).
What are the key properties of 4-hydrazinyl-2-methyl-N-(2-methylsulfinylethyl)-5-nitrobenzamide?
4-hydrazinyl-2-methyl-N-(2-methylsulfinylethyl)-5-nitrobenzamide has a molecular weight of 300.34 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-2-methyl-N-(2-methylsulfinylethyl)-5-nitrobenzamide is sourced from PubChem (CID 114271701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).