5-amino-2-ethoxy-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide

C12H20N2O4S — CID 54879827

IUPAC5-amino-2-ethoxy-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)N(CC)CCO
InChIInChI=1S/C12H20N2O4S/c1-3-14(7-8-15)19(16,17)12-9-10(13)5-6-11(12)18-4-2/h5-6,9,15H,3-4,7-8,13H2,1-2H3
InChIKeyIFDKVZHQMOLQDI-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.67
Rot. Bonds7

About 5-amino-2-ethoxy-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide

5-amino-2-ethoxy-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 54879827) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-amino-2-ethoxy-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethoxy-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID54879827
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name5-amino-2-ethoxy-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)N(CC)CCO
InChIInChI=1S/C12H20N2O4S/c1-3-14(7-8-15)19(16,17)12-9-10(13)5-6-11(12)18-4-2/h5-6,9,15H,3-4,7-8,13H2,1-2H3
InChIKeyIFDKVZHQMOLQDI-UHFFFAOYSA-N
XLogP0.67
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 54879902
5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61428184
5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61428651
5-bromo-N-(2,2-difluoroethyl)-2-ethoxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 107483631
5-amino-N-ethyl-3-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 79896285
5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61140970
5-amino-N-(2-hydroxyethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 43577718
5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 43662895
5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 43663017
5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide
CID 62856750
2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60980494
4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111455

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethoxy-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethoxy-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide (CID 54879827) is 5-amino-2-ethoxy-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethoxy-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethoxy-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide is CCOc1ccc(N)cc1S(=O)(=O)N(CC)CCO.
What is the InChIKey of 5-amino-2-ethoxy-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is IFDKVZHQMOLQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-3-14(7-8-15)19(16,17)12-9-10(13)5-6-11(12)18-4-2/h5-6,9,15H,3-4,7-8,13H2,1-2H3.
What are the key properties of 5-amino-2-ethoxy-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
5-amino-2-ethoxy-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethoxy-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 54879827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).