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

C15H16N4O5S — CID 50889987

IUPACN-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-3-nitrobenzenesulfonamide
SMILESCc1cccc(N(CC(=O)NN)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H16N4O5S/c1-11-4-2-5-12(8-11)18(10-15(20)17-16)25(23,24)14-7-3-6-13(9-14)19(21)22/h2-9H,10,16H2,1H3,(H,17,20)
InChIKeyDWUFTKDGVSFYBA-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.09
Rot. Bonds6

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

N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-3-nitrobenzenesulfonamide (PubChem CID 50889987) 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)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-3-nitrobenzenesulfonamide
PubChem CID50889987
Molecular FormulaC15H16N4O5S
Molecular Weight364.38 g/mol
Exact Mass364.08
IUPAC NameN-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-3-nitrobenzenesulfonamide
SMILESCc1cccc(N(CC(=O)NN)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H16N4O5S/c1-11-4-2-5-12(8-11)18(10-15(20)17-16)25(23,24)14-7-3-6-13(9-14)19(21)22/h2-9H,10,16H2,1H3,(H,17,20)
InChIKeyDWUFTKDGVSFYBA-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-(3-bromophenyl)-N-(2-hydrazinyl-2-oxoethyl)-3-nitrobenzenesulfonamide
CID 50890842
N-(2-hydrazinyl-2-oxoethyl)-N-(2-methylphenyl)-3-nitrobenzenesulfonamide
CID 50889920
4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)benzenesulfonamide
CID 50890034
N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-2-nitrobenzenesulfonamide
CID 50889940
propan-2-yl 2-(3-methyl-N-(3-nitrophenyl)sulfonylanilino)acetate
CID 50889976
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(3-nitrophenyl)acetamide
CID 1252853
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-methylacetamide
CID 846747
methyl 2-(3,5-dimethyl-N-(3-nitrophenyl)sulfonylanilino)acetate
CID 50891954
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(2,4-dimethylphenyl)acetamide
CID 1118122
N-(2-hydrazinyl-2-oxoethyl)-N-(4-nitrophenyl)benzenesulfonamide
CID 91671587
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 100562533
N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-3-nitrobenzenesulfonamide
CID 50892945

Frequently Asked Questions

What is the IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-3-nitrobenzenesulfonamide?
The IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-3-nitrobenzenesulfonamide (CID 50889987) is N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-3-nitrobenzenesulfonamide is Cc1cccc(N(CC(=O)NN)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-3-nitrobenzenesulfonamide?
The InChIKey is DWUFTKDGVSFYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O5S/c1-11-4-2-5-12(8-11)18(10-15(20)17-16)25(23,24)14-7-3-6-13(9-14)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)-3-nitrobenzenesulfonamide?
N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-3-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)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 50889987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).