4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide

C12H20N2O4S — CID 62498471

IUPAC4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCCOCCO)cc1
InChIInChI=1S/C12H20N2O4S/c1-14(2)19(16,17)12-5-3-11(4-6-12)13-7-9-18-10-8-15/h3-6,13,15H,7-10H2,1-2H3
InChIKeyBPNQSQRPWMPOJR-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.36
Rot. Bonds8

About 4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide

4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 62498471) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID62498471
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCCOCCO)cc1
InChIInChI=1S/C12H20N2O4S/c1-14(2)19(16,17)12-5-3-11(4-6-12)13-7-9-18-10-8-15/h3-6,13,15H,7-10H2,1-2H3
InChIKeyBPNQSQRPWMPOJR-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-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43453910
2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 55084058
N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
CID 106048559
4-(2-cyclopentyloxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 63827194
3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926501
4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide
CID 62842954
2-[2-[2-[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]phenyl]anilino]ethoxy]ethoxy]ethanol
CID 10433809
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
4-[4-(dimethylsulfamoyl)anilino]butanamide
CID 60863966
4-[3-(2-hydroxyethoxy)propylamino]benzenesulfonamide
CID 106306869
4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404
4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide
CID 62640164

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide (CID 62498471) is 4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NCCOCCO)cc1.
What is the InChIKey of 4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is BPNQSQRPWMPOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-14(2)19(16,17)12-5-3-11(4-6-12)13-7-9-18-10-8-15/h3-6,13,15H,7-10H2,1-2H3.
What are the key properties of 4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide?
4-[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 4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 62498471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).