2-[(3-methoxyphenyl)methoxy]-5-methylsulfonylaniline

C15H17NO4S — CID 43448183

IUPAC2-[(3-methoxyphenyl)methoxy]-5-methylsulfonylaniline
SMILESCOc1cccc(COc2ccc(S(C)(=O)=O)cc2N)c1
InChIInChI=1S/C15H17NO4S/c1-19-12-5-3-4-11(8-12)10-20-15-7-6-13(9-14(15)16)21(2,17)18/h3-9H,10,16H2,1-2H3
InChIKeyYYCANXRERBUUNG-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.26
Rot. Bonds5

About 2-[(3-methoxyphenyl)methoxy]-5-methylsulfonylaniline

2-[(3-methoxyphenyl)methoxy]-5-methylsulfonylaniline (PubChem CID 43448183) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methoxy]-5-methylsulfonylaniline.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methoxy]-5-methylsulfonylaniline
PubChem CID43448183
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name2-[(3-methoxyphenyl)methoxy]-5-methylsulfonylaniline
SMILESCOc1cccc(COc2ccc(S(C)(=O)=O)cc2N)c1
InChIInChI=1S/C15H17NO4S/c1-19-12-5-3-4-11(8-12)10-20-15-7-6-13(9-14(15)16)21(2,17)18/h3-9H,10,16H2,1-2H3
InChIKeyYYCANXRERBUUNG-UHFFFAOYSA-N
XLogP2.26
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(3-methoxyphenyl)methoxy]-5-methylsulfonylaniline with MolForge

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

Launch Full Analysis

Related Compounds

2-[(3-bromophenyl)methoxy]-5-methylsulfonylaniline
CID 82828789
3-chloro-4-[(3-methoxyphenyl)methoxy]aniline
CID 19626986
4-fluoro-5-iodo-2-[(3-methoxyphenyl)methoxy]aniline
CID 66100157
3-[(3-methoxyphenyl)methoxy]-4-methylaniline
CID 43520224
2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589508
5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid
CID 43379967
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812
[3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine
CID 43806918
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
2-[2-[(3-methoxyphenyl)methoxy]ethoxy]aniline
CID 43366089
5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile
CID 55134763

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methoxy]-5-methylsulfonylaniline?
The IUPAC name of 2-[(3-methoxyphenyl)methoxy]-5-methylsulfonylaniline (CID 43448183) is 2-[(3-methoxyphenyl)methoxy]-5-methylsulfonylaniline.
What is the SMILES notation for 2-[(3-methoxyphenyl)methoxy]-5-methylsulfonylaniline?
The canonical SMILES for 2-[(3-methoxyphenyl)methoxy]-5-methylsulfonylaniline is COc1cccc(COc2ccc(S(C)(=O)=O)cc2N)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methoxy]-5-methylsulfonylaniline?
The InChIKey is YYCANXRERBUUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-19-12-5-3-4-11(8-12)10-20-15-7-6-13(9-14(15)16)21(2,17)18/h3-9H,10,16H2,1-2H3.
What are the key properties of 2-[(3-methoxyphenyl)methoxy]-5-methylsulfonylaniline?
2-[(3-methoxyphenyl)methoxy]-5-methylsulfonylaniline has a molecular weight of 307.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methoxy]-5-methylsulfonylaniline is sourced from PubChem (CID 43448183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).