2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide

C12H20N2O4S — CID 55084058

IUPAC2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NCCOCCO
InChIInChI=1S/C12H20N2O4S/c1-14(2)19(16,17)12-6-4-3-5-11(12)13-7-9-18-10-8-15/h3-6,13,15H,7-10H2,1-2H3
InChIKeyMKIYSTKDFITITA-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.36
Rot. Bonds8

About 2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide

2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 55084058) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID55084058
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NCCOCCO
InChIInChI=1S/C12H20N2O4S/c1-14(2)19(16,17)12-6-4-3-5-11(12)13-7-9-18-10-8-15/h3-6,13,15H,7-10H2,1-2H3
InChIKeyMKIYSTKDFITITA-UHFFFAOYSA-N
XLogP0.36
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 62498471
2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide
CID 63251442
2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 43454463
N,N-dimethyl-2-(octylamino)benzenesulfonamide
CID 115568876
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 107849381
N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60904200
2-(2-cyclopentylethylamino)-N,N-dimethylbenzenesulfonamide
CID 60920166
2-(2-butoxyethylamino)benzenesulfonamide
CID 61169915
N,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide
CID 79562680
2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
CID 107116608
2-[2-(2-sulfamoylanilino)ethoxy]acetamide
CID 114162595
2-[2-[3-[2-(2-hydroxyethoxy)ethylamino]-2-nitroanilino]ethoxy]ethanol
CID 54067877

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide (CID 55084058) is 2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1NCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is MKIYSTKDFITITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-14(2)19(16,17)12-6-4-3-5-11(12)13-7-9-18-10-8-15/h3-6,13,15H,7-10H2,1-2H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide?
2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 55084058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).