N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide

C15H16N2O4S — CID 796499

IUPACN-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H16N2O4S/c1-3-12-6-4-5-11(2)15(12)16-22(20,21)14-9-7-13(8-10-14)17(18)19/h4-10,16H,3H2,1-2H3
InChIKeyWPARMAVNERJPOK-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.27
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide

N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide (PubChem CID 796499) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide
PubChem CID796499
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H16N2O4S/c1-3-12-6-4-5-11(2)15(12)16-22(20,21)14-9-7-13(8-10-14)17(18)19/h4-10,16H,3H2,1-2H3
InChIKeyWPARMAVNERJPOK-UHFFFAOYSA-N
XLogP3.27
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2219506
N-(2-ethylphenyl)-4-nitrobenzenesulfonamide
CID 3980128
N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzenesulfonamide
CID 898813
4-butan-2-yl-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
CID 22773751
N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 4548648
4-nitro-N-(2,3,4,5,6-pentamethylphenyl)benzenesulfonamide
CID 101434436
N-(2-ethyl-6-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629071
4-nitro-N-(2,3,5,6-tetramethylphenyl)benzenesulfonamide
CID 101434435
N'-(2-ethyl-6-methylphenyl)-N-(4-nitrophenyl)oxamide
CID 108512016
N-(2-ethyl-6-methylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 112770780
4-ethyl-N-(4-nitrophenyl)benzenesulfonamide
CID 22774107
4-nitro-N-(2,3,4,6-tetramethylphenyl)benzenesulfonamide
CID 101434437

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide (CID 796499) is N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide is CCc1cccc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide?
The InChIKey is WPARMAVNERJPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-3-12-6-4-5-11(2)15(12)16-22(20,21)14-9-7-13(8-10-14)17(18)19/h4-10,16H,3H2,1-2H3.
What are the key properties of N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide?
N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide has a molecular weight of 320.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 796499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).