N-(2,4-dimethylphenyl)-5-hydrazinyl-2-nitrobenzenesulfonamide

C14H16N4O4S — CID 4104774

IUPACN-(2,4-dimethylphenyl)-5-hydrazinyl-2-nitrobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(NN)ccc2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C14H16N4O4S/c1-9-3-5-12(10(2)7-9)17-23(21,22)14-8-11(16-15)4-6-13(14)18(19)20/h3-8,16-17H,15H2,1-2H3
InChIKeyGXYBKVOQJLYEOE-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.30
Rot. Bonds5

About N-(2,4-dimethylphenyl)-5-hydrazinyl-2-nitrobenzenesulfonamide

N-(2,4-dimethylphenyl)-5-hydrazinyl-2-nitrobenzenesulfonamide (PubChem CID 4104774) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-hydrazinyl-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-hydrazinyl-2-nitrobenzenesulfonamide
PubChem CID4104774
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC NameN-(2,4-dimethylphenyl)-5-hydrazinyl-2-nitrobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(NN)ccc2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C14H16N4O4S/c1-9-3-5-12(10(2)7-9)17-23(21,22)14-8-11(16-15)4-6-13(14)18(19)20/h3-8,16-17H,15H2,1-2H3
InChIKeyGXYBKVOQJLYEOE-UHFFFAOYSA-N
XLogP2.30
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide
CID 60989473
N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 60988898
5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide
CID 60989700
N-(2,4-dimethylphenyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2711951
5-bromo-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 61016849
5-hydrazinyl-2-nitro-N-pyridazin-3-ylbenzenesulfonamide
CID 116787296
4-methyl-N-[2-[(4-methyl-2-nitrophenyl)sulfonylamino]phenyl]-2-nitrobenzenesulfonamide
CID 100971716
N-(2,3-dimethylbutyl)-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 64598176
N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide
CID 22775100
5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 114624853
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 43120010
N-(2-methylphenyl)-2-nitrobenzenesulfonamide
CID 786523

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-hydrazinyl-2-nitrobenzenesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-hydrazinyl-2-nitrobenzenesulfonamide (CID 4104774) is N-(2,4-dimethylphenyl)-5-hydrazinyl-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-hydrazinyl-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-hydrazinyl-2-nitrobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(NN)ccc2[N+](=O)[O-])c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-hydrazinyl-2-nitrobenzenesulfonamide?
The InChIKey is GXYBKVOQJLYEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-9-3-5-12(10(2)7-9)17-23(21,22)14-8-11(16-15)4-6-13(14)18(19)20/h3-8,16-17H,15H2,1-2H3.
What are the key properties of N-(2,4-dimethylphenyl)-5-hydrazinyl-2-nitrobenzenesulfonamide?
N-(2,4-dimethylphenyl)-5-hydrazinyl-2-nitrobenzenesulfonamide has a molecular weight of 336.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-hydrazinyl-2-nitrobenzenesulfonamide is sourced from PubChem (CID 4104774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).