5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide

C12H20N2O4S — CID 61428184

IUPAC5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)N(C)CCOC
InChIInChI=1S/C12H20N2O4S/c1-4-18-11-6-5-10(13)9-12(11)19(15,16)14(2)7-8-17-3/h5-6,9H,4,7-8,13H2,1-3H3
InChIKeyODIKFBMUCRWANN-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.93
Rot. Bonds7

About 5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide

5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (PubChem CID 61428184) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
PubChem CID61428184
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)N(C)CCOC
InChIInChI=1S/C12H20N2O4S/c1-4-18-11-6-5-10(13)9-12(11)19(15,16)14(2)7-8-17-3/h5-6,9H,4,7-8,13H2,1-3H3
InChIKeyODIKFBMUCRWANN-UHFFFAOYSA-N
XLogP0.93
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61428651
5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide
CID 62856750
5-amino-2-ethoxy-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879827
ethyl 2-ethoxy-5-[2-methoxyethyl(methyl)sulfamoyl]benzoate
CID 69465529
5-amino-N-(2-methoxyethyl)-N-methyl-1H-indole-3-sulfonamide
CID 64853043
5-amino-2-ethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61436327
5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 43662895
5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 43663017
4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81053199
2-amino-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61125296
4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 62985193
4-amino-2-[3-methoxypropyl(methyl)sulfamoyl]benzoic acid
CID 102931220

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (CID 61428184) is 5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is CCOc1ccc(N)cc1S(=O)(=O)N(C)CCOC.
What is the InChIKey of 5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is ODIKFBMUCRWANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-4-18-11-6-5-10(13)9-12(11)19(15,16)14(2)7-8-17-3/h5-6,9H,4,7-8,13H2,1-3H3.
What are the key properties of 5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 61428184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).