4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide

C17H21NO3S — CID 22201289

IUPAC4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)c2cccc(OC)c2)cc1
InChIInChI=1S/C17H21NO3S/c1-4-14-8-10-17(11-9-14)22(19,20)18-13(2)15-6-5-7-16(12-15)21-3/h5-13,18H,4H2,1-3H3
InChIKeyVTHMMSVKXKIWTD-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.30
Rot. Bonds6

About 4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide

4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 22201289) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID22201289
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)c2cccc(OC)c2)cc1
InChIInChI=1S/C17H21NO3S/c1-4-14-8-10-17(11-9-14)22(19,20)18-13(2)15-6-5-7-16(12-15)21-3/h5-13,18H,4H2,1-3H3
InChIKeyVTHMMSVKXKIWTD-UHFFFAOYSA-N
XLogP3.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide 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

4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 61126470
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 27511343
N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3341843
N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
CID 74229134
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3870405
1-(4-ethylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]ethanamine
CID 81353955
3-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 25044284
N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide
CID 22201304
1-bromo-N-[1-(3-methoxyphenyl)ethyl]methanesulfonamide
CID 83086763
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
CID 3805772
N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide
CID 22772310

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide (CID 22201289) is 4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NC(C)c2cccc(OC)c2)cc1.
What is the InChIKey of 4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is VTHMMSVKXKIWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-4-14-8-10-17(11-9-14)22(19,20)18-13(2)15-6-5-7-16(12-15)21-3/h5-13,18H,4H2,1-3H3.
What are the key properties of 4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide?
4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 22201289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).