2-[(4-methylsulfonylphenoxy)methyl]aniline

C14H15NO3S — CID 43806870

IUPAC2-[(4-methylsulfonylphenoxy)methyl]aniline
SMILESCS(=O)(=O)c1ccc(OCc2ccccc2N)cc1
InChIInChI=1S/C14H15NO3S/c1-19(16,17)13-8-6-12(7-9-13)18-10-11-4-2-3-5-14(11)15/h2-9H,10,15H2,1H3
InChIKeyUPLXECHCUXIIDS-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.25
Rot. Bonds4

About 2-[(4-methylsulfonylphenoxy)methyl]aniline

2-[(4-methylsulfonylphenoxy)methyl]aniline (PubChem CID 43806870) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[(4-methylsulfonylphenoxy)methyl]aniline.

Molecular Properties

Compound Name2-[(4-methylsulfonylphenoxy)methyl]aniline
PubChem CID43806870
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name2-[(4-methylsulfonylphenoxy)methyl]aniline
SMILESCS(=O)(=O)c1ccc(OCc2ccccc2N)cc1
InChIInChI=1S/C14H15NO3S/c1-19(16,17)13-8-6-12(7-9-13)18-10-11-4-2-3-5-14(11)15/h2-9H,10,15H2,1H3
InChIKeyUPLXECHCUXIIDS-UHFFFAOYSA-N
XLogP2.25
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62895729
4-[(2-methylphenyl)methoxy]benzenesulfonamide
CID 43164522
2-[(4-methylsulfonylphenyl)sulfinylmethyl]aniline
CID 63237875
2-fluoro-3-[(4-methylsulfonylphenoxy)methyl]benzonitrile
CID 103886683
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methylsulfonylaniline
CID 133477267
[4-fluoro-2-[(4-methylsulfonylphenoxy)methyl]phenyl]methanamine
CID 64763561
5-[(4-methylsulfonylphenoxy)methyl]pyrazin-2-amine
CID 103058824
4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol
CID 22020849
2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile
CID 18069564
4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene
CID 154798923
1,3-dimethyl-5-[(4-methylsulfonylphenoxy)methyl]benzene
CID 23017924
4-bromo-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene
CID 47111059

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylsulfonylphenoxy)methyl]aniline?
The IUPAC name of 2-[(4-methylsulfonylphenoxy)methyl]aniline (CID 43806870) is 2-[(4-methylsulfonylphenoxy)methyl]aniline.
What is the SMILES notation for 2-[(4-methylsulfonylphenoxy)methyl]aniline?
The canonical SMILES for 2-[(4-methylsulfonylphenoxy)methyl]aniline is CS(=O)(=O)c1ccc(OCc2ccccc2N)cc1.
What is the InChIKey of 2-[(4-methylsulfonylphenoxy)methyl]aniline?
The InChIKey is UPLXECHCUXIIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-19(16,17)13-8-6-12(7-9-13)18-10-11-4-2-3-5-14(11)15/h2-9H,10,15H2,1H3.
What are the key properties of 2-[(4-methylsulfonylphenoxy)methyl]aniline?
2-[(4-methylsulfonylphenoxy)methyl]aniline has a molecular weight of 277.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylsulfonylphenoxy)methyl]aniline is sourced from PubChem (CID 43806870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).