4-methoxy-2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide

C15H16N2O5S — CID 94618191

IUPAC4-methoxy-2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C
InChIInChI=1S/C15H16N2O5S/c1-10-8-15(11(2)7-14(10)22-3)23(20,21)16-12-5-4-6-13(9-12)17(18)19/h4-9,16H,1-3H3
InChIKeyFHDZTYSDTIYGCZ-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.02
Rot. Bonds5

About 4-methoxy-2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide

4-methoxy-2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide (PubChem CID 94618191) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide
PubChem CID94618191
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Name4-methoxy-2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C
InChIInChI=1S/C15H16N2O5S/c1-10-8-15(11(2)7-14(10)22-3)23(20,21)16-12-5-4-6-13(9-12)17(18)19/h4-9,16H,1-3H3
InChIKeyFHDZTYSDTIYGCZ-UHFFFAOYSA-N
XLogP3.02
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-amino-4-methoxy-N-(3-nitrophenyl)benzenesulfonamide
CID 22759589
4-methoxy-2,5-dimethyl-N-(3-methylsulfinylphenyl)benzenesulfonamide
CID 75512057
4-methoxy-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7574415
N-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 35971820
N-[3-[(2-methoxy-4-nitrophenyl)sulfonylamino]phenyl]acetamide
CID 55880156
3,4-dimethyl-5-[(3-nitrophenyl)sulfamoyl]benzoic acid
CID 886334
2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 8822400
N-(3-ethynylphenyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 60531704
N-(3-methoxy-4-methylphenyl)-4-nitrobenzenesulfonamide
CID 170925249
2-bromo-N-(3-nitrophenyl)benzenesulfonamide
CID 26952317
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100528166
1,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-sulfonamide
CID 22774102

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide (CID 94618191) is 4-methoxy-2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide?
The InChIKey is FHDZTYSDTIYGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-10-8-15(11(2)7-14(10)22-3)23(20,21)16-12-5-4-6-13(9-12)17(18)19/h4-9,16H,1-3H3.
What are the key properties of 4-methoxy-2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide?
4-methoxy-2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide has a molecular weight of 336.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 94618191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).