N-(2-ethoxyethyl)-N-ethyl-4-(1-hydroxyethyl)benzenesulfonamide

C14H23NO4S — CID 63691304

IUPACN-(2-ethoxyethyl)-N-ethyl-4-(1-hydroxyethyl)benzenesulfonamide
SMILESCCOCCN(CC)S(=O)(=O)c1ccc(C(C)O)cc1
InChIInChI=1S/C14H23NO4S/c1-4-15(10-11-19-5-2)20(17,18)14-8-6-13(7-9-14)12(3)16/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyOYWCCQUBQNDVKG-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.79
Rot. Bonds8

About N-(2-ethoxyethyl)-N-ethyl-4-(1-hydroxyethyl)benzenesulfonamide

N-(2-ethoxyethyl)-N-ethyl-4-(1-hydroxyethyl)benzenesulfonamide (PubChem CID 63691304) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-4-(1-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-4-(1-hydroxyethyl)benzenesulfonamide
PubChem CID63691304
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-4-(1-hydroxyethyl)benzenesulfonamide
SMILESCCOCCN(CC)S(=O)(=O)c1ccc(C(C)O)cc1
InChIInChI=1S/C14H23NO4S/c1-4-15(10-11-19-5-2)20(17,18)14-8-6-13(7-9-14)12(3)16/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyOYWCCQUBQNDVKG-UHFFFAOYSA-N
XLogP1.79
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 65481240
4-[2-ethoxyethyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 63690581
N-(2-ethoxyethyl)-N-ethyl-4-(propylamino)benzenesulfonamide
CID 63692201
N-ethyl-N-[2-[2-[2-[2-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethoxy]ethyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 100986628
5-[2-ethoxyethyl(ethyl)sulfamoyl]-2-hydroxybenzoic acid
CID 63697925
4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879790
2-chloro-4-[2-ethoxyethyl(ethyl)sulfamoyl]benzoic acid
CID 107090087
1-[4-[2-ethoxyethyl(methyl)amino]phenyl]ethanol
CID 81057167
4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide
CID 3821573
2-[(2-amino-2-oxoethyl)-[4-(1-hydroxyethyl)phenyl]sulfonylamino]acetamide
CID 62923168
4-bromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylbenzenesulfonamide
CID 114263617
N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43507359

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-4-(1-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-4-(1-hydroxyethyl)benzenesulfonamide (CID 63691304) is N-(2-ethoxyethyl)-N-ethyl-4-(1-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-4-(1-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-4-(1-hydroxyethyl)benzenesulfonamide is CCOCCN(CC)S(=O)(=O)c1ccc(C(C)O)cc1.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-4-(1-hydroxyethyl)benzenesulfonamide?
The InChIKey is OYWCCQUBQNDVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-4-15(10-11-19-5-2)20(17,18)14-8-6-13(7-9-14)12(3)16/h6-9,12,16H,4-5,10-11H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-4-(1-hydroxyethyl)benzenesulfonamide?
N-(2-ethoxyethyl)-N-ethyl-4-(1-hydroxyethyl)benzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-4-(1-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 63691304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).