N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide

C17H21NO4S — CID 22204767

IUPACN-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
SMILESCCOc1ccc(C(C)NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H21NO4S/c1-4-22-16-7-5-14(6-8-16)13(2)18-23(19,20)17-11-9-15(21-3)10-12-17/h5-13,18H,4H2,1-3H3
InChIKeyXFJQDYVJFHCQRV-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.13
Rot. Bonds7

About N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide

N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 22204767) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
PubChem CID22204767
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
SMILESCCOc1ccc(C(C)NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H21NO4S/c1-4-22-16-7-5-14(6-8-16)13(2)18-23(19,20)17-11-9-15(21-3)10-12-17/h5-13,18H,4H2,1-3H3
InChIKeyXFJQDYVJFHCQRV-UHFFFAOYSA-N
XLogP3.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide 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

N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22204718
4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201321
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 27511343
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22206237
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552297
4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 8762877
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-[1-(4-ethoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22204794
2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzenesulfonamide
CID 74768382
4-ethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2957183

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide (CID 22204767) is N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide is CCOc1ccc(C(C)NS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is XFJQDYVJFHCQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-4-22-16-7-5-14(6-8-16)13(2)18-23(19,20)17-11-9-15(21-3)10-12-17/h5-13,18H,4H2,1-3H3.
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide?
N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 22204767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).