N-(2-methoxyethyl)-3,4-dimethyl-5-nitrobenzenesulfonamide

C11H16N2O5S — CID 7574341

IUPACN-(2-methoxyethyl)-3,4-dimethyl-5-nitrobenzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N2O5S/c1-8-6-10(7-11(9(8)2)13(14)15)19(16,17)12-4-5-18-3/h6-7,12H,4-5H2,1-3H3
InChIKeyHWUUULAGZUYTIJ-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.14
Rot. Bonds6

About N-(2-methoxyethyl)-3,4-dimethyl-5-nitrobenzenesulfonamide

N-(2-methoxyethyl)-3,4-dimethyl-5-nitrobenzenesulfonamide (PubChem CID 7574341) has the molecular formula C11H16N2O5S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3,4-dimethyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3,4-dimethyl-5-nitrobenzenesulfonamide
PubChem CID7574341
Molecular FormulaC11H16N2O5S
Molecular Weight288.33 g/mol
Exact Mass288.08
IUPAC NameN-(2-methoxyethyl)-3,4-dimethyl-5-nitrobenzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N2O5S/c1-8-6-10(7-11(9(8)2)13(14)15)19(16,17)12-4-5-18-3/h6-7,12H,4-5H2,1-3H3
InChIKeyHWUUULAGZUYTIJ-UHFFFAOYSA-N
XLogP1.14
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-4-methyl-3-nitrobenzenesulfonamide
CID 5189780
3,4-dimethyl-N-[2-(methylamino)ethyl]-5-nitrobenzenesulfonamide
CID 62659310
N-(3-iodopropyl)-3,4-dimethyl-5-nitrobenzenesulfonamide
CID 114189123
N-(3-cyanopropyl)-3,4-dimethyl-5-nitrobenzenesulfonamide
CID 62667028
3,4-dimethyl-5-nitro-N-prop-2-ynylbenzenesulfonamide
CID 60681266
3,4-dimethyl-N-(2-methylprop-2-enyl)-5-nitrobenzenesulfonamide
CID 114616487
N-ethoxy-3,4-dimethyl-5-nitrobenzenesulfonamide
CID 60700382
N-(2-methoxyethyl)-3-nitro-4-(propylamino)benzenesulfonamide
CID 62148284
3,4-dimethyl-N-(2-morpholin-4-ylethyl)-5-nitrobenzenesulfonamide
CID 16644692
N-[2-(2-methoxyethylamino)ethyl]-4,5-dimethyl-2-nitrobenzenesulfonamide;hydrochloride
CID 120717643
3-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]-2-methylpropanoic acid
CID 62674294
N-(4-hydroxy-2-methylbutyl)-3,4-dimethyl-5-nitrobenzenesulfonamide
CID 66108645

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3,4-dimethyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-3,4-dimethyl-5-nitrobenzenesulfonamide (CID 7574341) is N-(2-methoxyethyl)-3,4-dimethyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-3,4-dimethyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-3,4-dimethyl-5-nitrobenzenesulfonamide is COCCNS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2-methoxyethyl)-3,4-dimethyl-5-nitrobenzenesulfonamide?
The InChIKey is HWUUULAGZUYTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-8-6-10(7-11(9(8)2)13(14)15)19(16,17)12-4-5-18-3/h6-7,12H,4-5H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-3,4-dimethyl-5-nitrobenzenesulfonamide?
N-(2-methoxyethyl)-3,4-dimethyl-5-nitrobenzenesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3,4-dimethyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 7574341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).