N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-2-nitrobenzenesulfonamide

C15H16N4O5S — CID 50889940

IUPACN-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-2-nitrobenzenesulfonamide
SMILESCc1cccc(N(CC(=O)NN)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H16N4O5S/c1-11-5-4-6-12(9-11)18(10-15(20)17-16)25(23,24)14-8-3-2-7-13(14)19(21)22/h2-9H,10,16H2,1H3,(H,17,20)
InChIKeyOAGMWAXVOVKVBH-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.09
Rot. Bonds6

About N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-2-nitrobenzenesulfonamide

N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-2-nitrobenzenesulfonamide (PubChem CID 50889940) has the molecular formula C15H16N4O5S and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-2-nitrobenzenesulfonamide
PubChem CID50889940
Molecular FormulaC15H16N4O5S
Molecular Weight364.38 g/mol
Exact Mass364.08
IUPAC NameN-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-2-nitrobenzenesulfonamide
SMILESCc1cccc(N(CC(=O)NN)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H16N4O5S/c1-11-5-4-6-12(9-11)18(10-15(20)17-16)25(23,24)14-8-3-2-7-13(14)19(21)22/h2-9H,10,16H2,1H3,(H,17,20)
InChIKeyOAGMWAXVOVKVBH-UHFFFAOYSA-N
XLogP1.09
TPSA135.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 50889864
ethyl 2-(3-methyl-N-(2-nitrophenyl)sulfonylanilino)acetate
CID 50889932
N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-3-nitrobenzenesulfonamide
CID 50889987
N-(2-hydrazinyl-2-oxoethyl)-2-nitro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 50895365
N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-nitrobenzenesulfonamide
CID 50892892
4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)benzenesulfonamide
CID 50890034
methyl 2-(3-bromo-N-(2-nitrophenyl)sulfonylanilino)acetate
CID 50890942
N-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 2209477
N-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 1318812
N-(3-methylsulfanylphenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 1320235
N-[2-(4-methylphenyl)sulfanylethyl]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 2278637
4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzamide
CID 51345106

Frequently Asked Questions

What is the IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-2-nitrobenzenesulfonamide?
The IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-2-nitrobenzenesulfonamide (CID 50889940) is N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-2-nitrobenzenesulfonamide is Cc1cccc(N(CC(=O)NN)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-2-nitrobenzenesulfonamide?
The InChIKey is OAGMWAXVOVKVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O5S/c1-11-5-4-6-12(9-11)18(10-15(20)17-16)25(23,24)14-8-3-2-7-13(14)19(21)22/h2-9H,10,16H2,1H3,(H,17,20).
What are the key properties of N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-2-nitrobenzenesulfonamide?
N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-2-nitrobenzenesulfonamide has a molecular weight of 364.38 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 50889940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).