N-[2-(3-ethylphenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide

C19H25NO3S — CID 113100044

IUPACN-[2-(3-ethylphenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCCc1cccc(OCCNS(=O)(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H25NO3S/c1-5-17-7-6-8-18(13-17)23-10-9-20-24(21,22)19-15(3)11-14(2)12-16(19)4/h6-8,11-13,20H,5,9-10H2,1-4H3
InChIKeyMARFCKHMIDKLLI-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.53
Rot. Bonds7

About N-[2-(3-ethylphenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide

N-[2-(3-ethylphenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 113100044) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[2-(3-ethylphenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-ethylphenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID113100044
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC NameN-[2-(3-ethylphenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCCc1cccc(OCCNS(=O)(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H25NO3S/c1-5-17-7-6-8-18(13-17)23-10-9-20-24(21,22)19-15(3)11-14(2)12-16(19)4/h6-8,11-13,20H,5,9-10H2,1-4H3
InChIKeyMARFCKHMIDKLLI-UHFFFAOYSA-N
XLogP3.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.53
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

N-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 113100033
N-[2-(2,6-dimethylphenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 113100789
4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113100064
N-[2-(4-fluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 30365742
5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide
CID 113100078
N-[2-(3-ethylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113100017
N-[2-(2,4-difluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 113102398
4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099165
3,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 60700211
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419
2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43109790
4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 9158032

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylphenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[2-(3-ethylphenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide (CID 113100044) is N-[2-(3-ethylphenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3-ethylphenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(3-ethylphenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide is CCc1cccc(OCCNS(=O)(=O)c2c(C)cc(C)cc2C)c1.
What is the InChIKey of N-[2-(3-ethylphenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is MARFCKHMIDKLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-5-17-7-6-8-18(13-17)23-10-9-20-24(21,22)19-15(3)11-14(2)12-16(19)4/h6-8,11-13,20H,5,9-10H2,1-4H3.
What are the key properties of N-[2-(3-ethylphenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide?
N-[2-(3-ethylphenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 347.48 g/mol, XLogP of 3.53, 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]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 113100044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).