4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide

C15H16N2O4S — CID 2840601

IUPAC4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C15H16N2O4S/c1-3-12-4-7-14(8-5-12)22(20,21)16-15-9-6-13(17(18)19)10-11(15)2/h4-10,16H,3H2,1-2H3
InChIKeyJJRRVXYFBDBPKA-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.27
Rot. Bonds5

About 4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide

4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide (PubChem CID 2840601) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
PubChem CID2840601
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C15H16N2O4S/c1-3-12-4-7-14(8-5-12)22(20,21)16-15-9-6-13(17(18)19)10-11(15)2/h4-10,16H,3H2,1-2H3
InChIKeyJJRRVXYFBDBPKA-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

3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 22774279
4-ethyl-N-(4-nitrophenyl)benzenesulfonamide
CID 22774107
N-(2,4-dimethylphenyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2711951
1-ethyl-5-methyl-N-(2-methyl-4-nitrophenyl)pyrazole-4-sulfonamide
CID 22774298
N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide
CID 7514342
2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 60640802
N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide
CID 3300221
N-(2-ethylphenyl)-4-nitrobenzenesulfonamide
CID 3980128
N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 28715386
N-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
CID 7938611
2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3389799
N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide
CID 796499

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide (CID 2840601) is 4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1.
What is the InChIKey of 4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide?
The InChIKey is JJRRVXYFBDBPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-3-12-4-7-14(8-5-12)22(20,21)16-15-9-6-13(17(18)19)10-11(15)2/h4-10,16H,3H2,1-2H3.
What are the key properties of 4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide?
4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide 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 4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 2840601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).