4-hydrazinyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide

C12H19N3O3S — CID 113400327

IUPAC4-hydrazinyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide
SMILESCc1cc(NN)ccc1C(=O)NC(C)CS(C)(=O)=O
InChIInChI=1S/C12H19N3O3S/c1-8-6-10(15-13)4-5-11(8)12(16)14-9(2)7-19(3,17)18/h4-6,9,15H,7,13H2,1-3H3,(H,14,16)
InChIKeyWFYNCPADQBBIRJ-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.44
Rot. Bonds5

About 4-hydrazinyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide

4-hydrazinyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide (PubChem CID 113400327) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-hydrazinyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-hydrazinyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide
PubChem CID113400327
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-hydrazinyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide
SMILESCc1cc(NN)ccc1C(=O)NC(C)CS(C)(=O)=O
InChIInChI=1S/C12H19N3O3S/c1-8-6-10(15-13)4-5-11(8)12(16)14-9(2)7-19(3,17)18/h4-6,9,15H,7,13H2,1-3H3,(H,14,16)
InChIKeyWFYNCPADQBBIRJ-UHFFFAOYSA-N
XLogP0.44
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride
CID 119786700
3-amino-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64629768
4-hydrazinyl-N-(2-methoxypropyl)-2-methylbenzamide
CID 102700668
2-amino-N-(1-methylsulfonylpropan-2-yl)-5-nitrobenzamide
CID 64643080
4-hydrazinyl-2-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
CID 114115346
3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 107121140
4-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64642824
4-hydrazinyl-2-methyl-N-(7-methyloctyl)benzamide
CID 107818129
N-[2-(dimethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide
CID 106340967
N-[2-(ethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide
CID 106340923
2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide
CID 64643078
5-methyl-N-(1-methylsulfonylpropan-2-yl)-2-(propylamino)benzamide
CID 64642886

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide?
The IUPAC name of 4-hydrazinyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide (CID 113400327) is 4-hydrazinyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide.
What is the SMILES notation for 4-hydrazinyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide?
The canonical SMILES for 4-hydrazinyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide is Cc1cc(NN)ccc1C(=O)NC(C)CS(C)(=O)=O.
What is the InChIKey of 4-hydrazinyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide?
The InChIKey is WFYNCPADQBBIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8-6-10(15-13)4-5-11(8)12(16)14-9(2)7-19(3,17)18/h4-6,9,15H,7,13H2,1-3H3,(H,14,16).
What are the key properties of 4-hydrazinyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide?
4-hydrazinyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide has a molecular weight of 285.37 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide is sourced from PubChem (CID 113400327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).