3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide

C15H16N2O4S — CID 22774279

IUPAC3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1C
InChIInChI=1S/C15H16N2O4S/c1-10-4-6-14(9-11(10)2)22(20,21)16-15-7-5-13(17(18)19)8-12(15)3/h4-9,16H,1-3H3
InChIKeyZZQIGQVRCFNJQT-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.32
Rot. Bonds4

About 3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide

3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide (PubChem CID 22774279) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
PubChem CID22774279
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1C
InChIInChI=1S/C15H16N2O4S/c1-10-4-6-14(9-11(10)2)22(20,21)16-15-7-5-13(17(18)19)8-12(15)3/h4-9,16H,1-3H3
InChIKeyZZQIGQVRCFNJQT-UHFFFAOYSA-N
XLogP3.32
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.32
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

4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 2840601
4-fluoro-3-methyl-N-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 98674097
N-(4-chloro-2-methylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 21368314
2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 60640802
N-(2,4-dimethylphenyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2711951
N-(4-iodo-2-methylphenyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 60533112
1,2-dimethyl-4-nitrobenzene;ethane
CID 90784792
N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide
CID 3300221
N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 22202548
N-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
CID 7938611
1-ethyl-5-methyl-N-(2-methyl-4-nitrophenyl)pyrazole-4-sulfonamide
CID 22774298
N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide
CID 7514342

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide (CID 22774279) is 3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide?
The InChIKey is ZZQIGQVRCFNJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-10-4-6-14(9-11(10)2)22(20,21)16-15-7-5-13(17(18)19)8-12(15)3/h4-9,16H,1-3H3.
What are the key properties of 3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide?
3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide has a molecular weight of 320.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 22774279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).