N-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide

C17H21NO3S — CID 113100033

IUPACN-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide
SMILESCCc1cccc(OCCNS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C17H21NO3S/c1-3-15-5-4-6-16(13-15)21-12-11-18-22(19,20)17-9-7-14(2)8-10-17/h4-10,13,18H,3,11-12H2,1-2H3
InChIKeyJHFDAEAWPLHZDJ-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.91
Rot. Bonds7

About N-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide

N-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide (PubChem CID 113100033) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide
PubChem CID113100033
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide
SMILESCCc1cccc(OCCNS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C17H21NO3S/c1-3-15-5-4-6-16(13-15)21-12-11-18-22(19,20)17-9-7-14(2)8-10-17/h4-10,13,18H,3,11-12H2,1-2H3
InChIKeyJHFDAEAWPLHZDJ-UHFFFAOYSA-N
XLogP2.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113100064
N-[2-(3-ethylphenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 113100044
4-methyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 26543228
4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 9158032
4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099165
N-[2-(3-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide
CID 49237977
(3-ethylphenyl) 4-methylbenzenesulfonate
CID 18424481
5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide
CID 113100078
N-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide
CID 30365872
4-fluoro-3-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099147
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide
CID 113101493
N-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113099676

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide (CID 113100033) is N-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide is CCc1cccc(OCCNS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is JHFDAEAWPLHZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-3-15-5-4-6-16(13-15)21-12-11-18-22(19,20)17-9-7-14(2)8-10-17/h4-10,13,18H,3,11-12H2,1-2H3.
What are the key properties of N-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide?
N-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 113100033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).