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

C15H16N4O5S — CID 50889920

IUPACN-(2-hydrazinyl-2-oxoethyl)-N-(2-methylphenyl)-3-nitrobenzenesulfonamide
SMILESCc1ccccc1N(CC(=O)NN)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H16N4O5S/c1-11-5-2-3-8-14(11)18(10-15(20)17-16)25(23,24)13-7-4-6-12(9-13)19(21)22/h2-9H,10,16H2,1H3,(H,17,20)
InChIKeyQPSYLWJMDQNTOG-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.09
Rot. Bonds6

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

N-(2-hydrazinyl-2-oxoethyl)-N-(2-methylphenyl)-3-nitrobenzenesulfonamide (PubChem CID 50889920) has the molecular formula C15H16N4O5S and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(2-hydrazinyl-2-oxoethyl)-N-(2-methylphenyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydrazinyl-2-oxoethyl)-N-(2-methylphenyl)-3-nitrobenzenesulfonamide
PubChem CID50889920
Molecular FormulaC15H16N4O5S
Molecular Weight364.38 g/mol
Exact Mass364.08
IUPAC NameN-(2-hydrazinyl-2-oxoethyl)-N-(2-methylphenyl)-3-nitrobenzenesulfonamide
SMILESCc1ccccc1N(CC(=O)NN)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H16N4O5S/c1-11-5-2-3-8-14(11)18(10-15(20)17-16)25(23,24)13-7-4-6-12(9-13)19(21)22/h2-9H,10,16H2,1H3,(H,17,20)
InChIKeyQPSYLWJMDQNTOG-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

2-(2-methyl-N-(3-nitrophenyl)sulfonylanilino)acetic acid
CID 50890046
N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-3-nitrobenzenesulfonamide
CID 50889987
N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-3-nitrobenzenesulfonamide
CID 50892945
2-(2,3-dimethyl-N-(3-nitrophenyl)sulfonylanilino)acetyl chloride
CID 50891800
N-(3-bromophenyl)-N-(2-hydrazinyl-2-oxoethyl)-3-nitrobenzenesulfonamide
CID 50890842
ethyl 2-(2-methyl-5-nitro-N-(3-nitrophenyl)sulfonylanilino)acetate
CID 100523249
2-(2-bromo-N-(3-nitrophenyl)sulfonylanilino)acetyl chloride
CID 50890405
N-(2-hydrazinyl-2-oxoethyl)-N-(4-nitrophenyl)benzenesulfonamide
CID 91671587
2-(N-(3-nitrophenyl)sulfonyl-2-propan-2-ylanilino)acetyl chloride
CID 50893687
methyl 2-[naphthalen-1-yl-(3-nitrophenyl)sulfonylamino]acetate
CID 50894140
2-(2-methyl-N-(3-nitrophenyl)sulfonylanilino)propanoyl chloride
CID 50889929
2-(2,4,6-trimethyl-N-(3-nitrophenyl)sulfonylanilino)acetyl chloride
CID 50892308

Frequently Asked Questions

What is the IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-N-(2-methylphenyl)-3-nitrobenzenesulfonamide?
The IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-N-(2-methylphenyl)-3-nitrobenzenesulfonamide (CID 50889920) is N-(2-hydrazinyl-2-oxoethyl)-N-(2-methylphenyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-hydrazinyl-2-oxoethyl)-N-(2-methylphenyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-hydrazinyl-2-oxoethyl)-N-(2-methylphenyl)-3-nitrobenzenesulfonamide is Cc1ccccc1N(CC(=O)NN)S(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-hydrazinyl-2-oxoethyl)-N-(2-methylphenyl)-3-nitrobenzenesulfonamide?
The InChIKey is QPSYLWJMDQNTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O5S/c1-11-5-2-3-8-14(11)18(10-15(20)17-16)25(23,24)13-7-4-6-12(9-13)19(21)22/h2-9H,10,16H2,1H3,(H,17,20).
What are the key properties of N-(2-hydrazinyl-2-oxoethyl)-N-(2-methylphenyl)-3-nitrobenzenesulfonamide?
N-(2-hydrazinyl-2-oxoethyl)-N-(2-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-(2-methylphenyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 50889920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).