N-(2,3-dimethylphenyl)-2-(4-ethylphenoxy)ethanesulfonamide

C18H23NO3S — CID 56764895

IUPACN-(2,3-dimethylphenyl)-2-(4-ethylphenoxy)ethanesulfonamide
SMILESCCc1ccc(OCCS(=O)(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C18H23NO3S/c1-4-16-8-10-17(11-9-16)22-12-13-23(20,21)19-18-7-5-6-14(2)15(18)3/h5-11,19H,4,12-13H2,1-3H3
InChIKeyIYKUETIRVRJASE-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.69
Rot. Bonds7

About N-(2,3-dimethylphenyl)-2-(4-ethylphenoxy)ethanesulfonamide

N-(2,3-dimethylphenyl)-2-(4-ethylphenoxy)ethanesulfonamide (PubChem CID 56764895) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(4-ethylphenoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(4-ethylphenoxy)ethanesulfonamide
PubChem CID56764895
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-(2,3-dimethylphenyl)-2-(4-ethylphenoxy)ethanesulfonamide
SMILESCCc1ccc(OCCS(=O)(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C18H23NO3S/c1-4-16-8-10-17(11-9-16)22-12-13-23(20,21)19-18-7-5-6-14(2)15(18)3/h5-11,19H,4,12-13H2,1-3H3
InChIKeyIYKUETIRVRJASE-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(4-ethylphenoxy)ethanesulfonamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(4-ethylphenoxy)ethanesulfonamide (CID 56764895) is N-(2,3-dimethylphenyl)-2-(4-ethylphenoxy)ethanesulfonamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(4-ethylphenoxy)ethanesulfonamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(4-ethylphenoxy)ethanesulfonamide is CCc1ccc(OCCS(=O)(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(4-ethylphenoxy)ethanesulfonamide?
The InChIKey is IYKUETIRVRJASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-4-16-8-10-17(11-9-16)22-12-13-23(20,21)19-18-7-5-6-14(2)15(18)3/h5-11,19H,4,12-13H2,1-3H3.
What are the key properties of N-(2,3-dimethylphenyl)-2-(4-ethylphenoxy)ethanesulfonamide?
N-(2,3-dimethylphenyl)-2-(4-ethylphenoxy)ethanesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(4-ethylphenoxy)ethanesulfonamide is sourced from PubChem (CID 56764895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).