N-[2-(ethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide

C12H20N4O3S — CID 106340923

IUPACN-[2-(ethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide
SMILESCCNS(=O)(=O)CCNC(=O)c1ccc(NN)cc1C
InChIInChI=1S/C12H20N4O3S/c1-3-15-20(18,19)7-6-14-12(17)11-5-4-10(16-13)8-9(11)2/h4-5,8,15-16H,3,6-7,13H2,1-2H3,(H,14,17)
InChIKeyWKKMGBYCUZOPPY-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.05
Rot. Bonds7

About N-[2-(ethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide

N-[2-(ethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide (PubChem CID 106340923) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(ethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(ethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide
PubChem CID106340923
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-[2-(ethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide
SMILESCCNS(=O)(=O)CCNC(=O)c1ccc(NN)cc1C
InChIInChI=1S/C12H20N4O3S/c1-3-15-20(18,19)7-6-14-12(17)11-5-4-10(16-13)8-9(11)2/h4-5,8,15-16H,3,6-7,13H2,1-2H3,(H,14,17)
InChIKeyWKKMGBYCUZOPPY-UHFFFAOYSA-N
XLogP-0.05
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
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

N-[2-(dimethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide
CID 106340967
N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinyl-5-methylbenzamide
CID 106340904
N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinylbenzamide
CID 106340919
2,4-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide
CID 103882820
N-[2-(ethylsulfamoyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide
CID 106340890
4-hydrazinyl-2-methyl-N-(7-methyloctyl)benzamide
CID 107818129
N-[2-(ethylsulfamoyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 56785842
N-[2-(ethylsulfamoyl)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 106340899
N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide
CID 113400267
4-hydrazinyl-N-(2-methoxypropyl)-2-methylbenzamide
CID 102700668
3-amino-N-[2-(ethylsulfamoyl)ethyl]-5-methylbenzamide
CID 106332827
4-hydrazinyl-2-methyl-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107415330

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide?
The IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide (CID 106340923) is N-[2-(ethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide.
What is the SMILES notation for N-[2-(ethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide?
The canonical SMILES for N-[2-(ethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide is CCNS(=O)(=O)CCNC(=O)c1ccc(NN)cc1C.
What is the InChIKey of N-[2-(ethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide?
The InChIKey is WKKMGBYCUZOPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-3-15-20(18,19)7-6-14-12(17)11-5-4-10(16-13)8-9(11)2/h4-5,8,15-16H,3,6-7,13H2,1-2H3,(H,14,17).
What are the key properties of N-[2-(ethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide?
N-[2-(ethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide has a molecular weight of 300.38 g/mol, XLogP of -0.05, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide is sourced from PubChem (CID 106340923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).