N-[2-(2-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide

C16H19NO3S2 — CID 2195327

IUPACN-[2-(2-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NCCOc2ccccc2C)cc1
InChIInChI=1S/C16H19NO3S2/c1-13-5-3-4-6-16(13)20-12-11-17-22(18,19)15-9-7-14(21-2)8-10-15/h3-10,17H,11-12H2,1-2H3
InChIKeyJDYFEXMADYRGOM-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.07
Rot. Bonds7

About N-[2-(2-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide

N-[2-(2-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide (PubChem CID 2195327) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[2-(2-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide
PubChem CID2195327
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC NameN-[2-(2-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NCCOc2ccccc2C)cc1
InChIInChI=1S/C16H19NO3S2/c1-13-5-3-4-6-16(13)20-12-11-17-22(18,19)15-9-7-14(21-2)8-10-15/h3-10,17H,11-12H2,1-2H3
InChIKeyJDYFEXMADYRGOM-UHFFFAOYSA-N
XLogP3.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-[2-(2-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide (CID 2195327) is N-[2-(2-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide is CSc1ccc(S(=O)(=O)NCCOc2ccccc2C)cc1.
What is the InChIKey of N-[2-(2-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide?
The InChIKey is JDYFEXMADYRGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S2/c1-13-5-3-4-6-16(13)20-12-11-17-22(18,19)15-9-7-14(21-2)8-10-15/h3-10,17H,11-12H2,1-2H3.
What are the key properties of N-[2-(2-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide?
N-[2-(2-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide has a molecular weight of 337.47 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 2195327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).