N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide

C12H19NO3S — CID 113100852

IUPACN-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCOc1cc(C)ccc1C
InChIInChI=1S/C12H19NO3S/c1-4-17(14,15)13-7-8-16-12-9-10(2)5-6-11(12)3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyXSNMSWNGIIZFKI-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.62
Rot. Bonds6

About N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide

N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide (PubChem CID 113100852) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide
PubChem CID113100852
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCOc1cc(C)ccc1C
InChIInChI=1S/C12H19NO3S/c1-4-17(14,15)13-7-8-16-12-9-10(2)5-6-11(12)3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyXSNMSWNGIIZFKI-UHFFFAOYSA-N
XLogP1.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.62
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-(2,5-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100856
N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide
CID 47108527
4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide
CID 9157900
N-[2-(2,5-dimethylphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
CID 113100868
1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene
CID 112727927
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
N-[2-(2,5-dimethylphenoxy)ethyl]acetamide
CID 5298522
1,4-dimethyl-2-pentoxybenzene
CID 59184214
1,4-dimethyl-2-(2-propan-2-ylsulfonylethoxy)benzene
CID 106732643
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide
CID 47429985
N-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline
CID 54796581

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide (CID 113100852) is N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCOc1cc(C)ccc1C.
What is the InChIKey of N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide?
The InChIKey is XSNMSWNGIIZFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-4-17(14,15)13-7-8-16-12-9-10(2)5-6-11(12)3/h5-6,9,13H,4,7-8H2,1-3H3.
What are the key properties of N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide?
N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide is sourced from PubChem (CID 113100852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).