N-[2-(2,3-dimethylphenoxy)ethyl]-4-ethylbenzenesulfonamide

C18H23NO3S — CID 113100960

IUPACN-[2-(2,3-dimethylphenoxy)ethyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCOc2cccc(C)c2C)cc1
InChIInChI=1S/C18H23NO3S/c1-4-16-8-10-17(11-9-16)23(20,21)19-12-13-22-18-7-5-6-14(2)15(18)3/h5-11,19H,4,12-13H2,1-3H3
InChIKeyNUJAEZUKSVAITG-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.22
Rot. Bonds7

About N-[2-(2,3-dimethylphenoxy)ethyl]-4-ethylbenzenesulfonamide

N-[2-(2,3-dimethylphenoxy)ethyl]-4-ethylbenzenesulfonamide (PubChem CID 113100960) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[2-(2,3-dimethylphenoxy)ethyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylphenoxy)ethyl]-4-ethylbenzenesulfonamide
PubChem CID113100960
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-[2-(2,3-dimethylphenoxy)ethyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCOc2cccc(C)c2C)cc1
InChIInChI=1S/C18H23NO3S/c1-4-16-8-10-17(11-9-16)23(20,21)19-12-13-22-18-7-5-6-14(2)15(18)3/h5-11,19H,4,12-13H2,1-3H3
InChIKeyNUJAEZUKSVAITG-UHFFFAOYSA-N
XLogP3.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.22
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-(2,3-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100958
N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113100982
4-ethyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide
CID 9450706
N-[2-(2,3-dimethylphenoxy)ethyl]propane-1-sulfonamide
CID 113100955
N-[2-(2,3-dimethylphenoxy)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113100959
N-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 113100033
N-[2-(2,3-dimethylphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113100965
4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
CID 139969428
N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099923
2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride
CID 75531600
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957
4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113100064

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylphenoxy)ethyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[2-(2,3-dimethylphenoxy)ethyl]-4-ethylbenzenesulfonamide (CID 113100960) is N-[2-(2,3-dimethylphenoxy)ethyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,3-dimethylphenoxy)ethyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,3-dimethylphenoxy)ethyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NCCOc2cccc(C)c2C)cc1.
What is the InChIKey of N-[2-(2,3-dimethylphenoxy)ethyl]-4-ethylbenzenesulfonamide?
The InChIKey is NUJAEZUKSVAITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-4-16-8-10-17(11-9-16)23(20,21)19-12-13-22-18-7-5-6-14(2)15(18)3/h5-11,19H,4,12-13H2,1-3H3.
What are the key properties of N-[2-(2,3-dimethylphenoxy)ethyl]-4-ethylbenzenesulfonamide?
N-[2-(2,3-dimethylphenoxy)ethyl]-4-ethylbenzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylphenoxy)ethyl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 113100960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).