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

C14H16N4O4S — CID 3851365

IUPACN-(2,4-dimethylphenyl)-2-hydrazinyl-5-nitrobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN)c(C)c1
InChIInChI=1S/C14H16N4O4S/c1-9-3-5-12(10(2)7-9)17-23(21,22)14-8-11(18(19)20)4-6-13(14)16-15/h3-8,16-17H,15H2,1-2H3
InChIKeyUXHOQEZGADFDAR-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.30
Rot. Bonds5

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

N-(2,4-dimethylphenyl)-2-hydrazinyl-5-nitrobenzenesulfonamide (PubChem CID 3851365) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-hydrazinyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-hydrazinyl-5-nitrobenzenesulfonamide
PubChem CID3851365
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC NameN-(2,4-dimethylphenyl)-2-hydrazinyl-5-nitrobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN)c(C)c1
InChIInChI=1S/C14H16N4O4S/c1-9-3-5-12(10(2)7-9)17-23(21,22)14-8-11(18(19)20)4-6-13(14)16-15/h3-8,16-17H,15H2,1-2H3
InChIKeyUXHOQEZGADFDAR-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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-hydrazinyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-hydrazinyl-5-nitrobenzenesulfonamide (CID 3851365) is N-(2,4-dimethylphenyl)-2-hydrazinyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-hydrazinyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-hydrazinyl-5-nitrobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-hydrazinyl-5-nitrobenzenesulfonamide?
The InChIKey is UXHOQEZGADFDAR-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(18(19)20)4-6-13(14)16-15/h3-8,16-17H,15H2,1-2H3.
What are the key properties of N-(2,4-dimethylphenyl)-2-hydrazinyl-5-nitrobenzenesulfonamide?
N-(2,4-dimethylphenyl)-2-hydrazinyl-5-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)-2-hydrazinyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 3851365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).