4-ethoxy-N-(2-hydroxyethyl)-3-methyl-N-propylbenzenesulfonamide

C14H23NO4S — CID 61425664

IUPAC4-ethoxy-N-(2-hydroxyethyl)-3-methyl-N-propylbenzenesulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1ccc(OCC)c(C)c1
InChIInChI=1S/C14H23NO4S/c1-4-8-15(9-10-16)20(17,18)13-6-7-14(19-5-2)12(3)11-13/h6-7,11,16H,4-5,8-10H2,1-3H3
InChIKeyZZBJVQXTFRIKHK-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.79
Rot. Bonds8

About 4-ethoxy-N-(2-hydroxyethyl)-3-methyl-N-propylbenzenesulfonamide

4-ethoxy-N-(2-hydroxyethyl)-3-methyl-N-propylbenzenesulfonamide (PubChem CID 61425664) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-ethoxy-N-(2-hydroxyethyl)-3-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-hydroxyethyl)-3-methyl-N-propylbenzenesulfonamide
PubChem CID61425664
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name4-ethoxy-N-(2-hydroxyethyl)-3-methyl-N-propylbenzenesulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1ccc(OCC)c(C)c1
InChIInChI=1S/C14H23NO4S/c1-4-8-15(9-10-16)20(17,18)13-6-7-14(19-5-2)12(3)11-13/h6-7,11,16H,4-5,8-10H2,1-3H3
InChIKeyZZBJVQXTFRIKHK-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

Analyze 4-ethoxy-N-(2-hydroxyethyl)-3-methyl-N-propylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]propanoic acid
CID 61010738
5-[2-hydroxyethyl(propyl)sulfamoyl]-2-methylbenzoic acid
CID 60951704
3-(4-ethoxy-3-methylphenyl)sulfonylpropan-1-ol
CID 116853206
4-bromo-N,N-bis(2-hydroxyethyl)-3-propoxybenzenesulfonamide
CID 50876357
sodium 4-ethoxy-3-methylbenzenesulfonate
CID 112705045
3-bromo-N-butyl-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 61217996
3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 3835270
N-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide
CID 55150398
4-fluoro-N-(2-hydroxyethyl)-3-methyl-5-nitro-N-propylbenzenesulfonamide
CID 115421907
N-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide
CID 61425521
N-(2,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373249
5-amino-2-ethoxy-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879827

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-hydroxyethyl)-3-methyl-N-propylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(2-hydroxyethyl)-3-methyl-N-propylbenzenesulfonamide (CID 61425664) is 4-ethoxy-N-(2-hydroxyethyl)-3-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(2-hydroxyethyl)-3-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(2-hydroxyethyl)-3-methyl-N-propylbenzenesulfonamide is CCCN(CCO)S(=O)(=O)c1ccc(OCC)c(C)c1.
What is the InChIKey of 4-ethoxy-N-(2-hydroxyethyl)-3-methyl-N-propylbenzenesulfonamide?
The InChIKey is ZZBJVQXTFRIKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-4-8-15(9-10-16)20(17,18)13-6-7-14(19-5-2)12(3)11-13/h6-7,11,16H,4-5,8-10H2,1-3H3.
What are the key properties of 4-ethoxy-N-(2-hydroxyethyl)-3-methyl-N-propylbenzenesulfonamide?
4-ethoxy-N-(2-hydroxyethyl)-3-methyl-N-propylbenzenesulfonamide 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 4-ethoxy-N-(2-hydroxyethyl)-3-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 61425664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).