2-(2-fluorophenoxy)-4-(4-methylsulfonylphenoxy)aniline

C19H16FNO4S — CID 68683708

IUPAC2-(2-fluorophenoxy)-4-(4-methylsulfonylphenoxy)aniline
SMILESCS(=O)(=O)c1ccc(Oc2ccc(N)c(Oc3ccccc3F)c2)cc1
InChIInChI=1S/C19H16FNO4S/c1-26(22,23)15-9-6-13(7-10-15)24-14-8-11-17(21)19(12-14)25-18-5-3-2-4-16(18)20/h2-12H,21H2,1H3
InChIKeyXHLDGXLVWCRDCJ-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.40
Rot. Bonds5

About 2-(2-fluorophenoxy)-4-(4-methylsulfonylphenoxy)aniline

2-(2-fluorophenoxy)-4-(4-methylsulfonylphenoxy)aniline (PubChem CID 68683708) has the molecular formula C19H16FNO4S and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-4-(4-methylsulfonylphenoxy)aniline.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-4-(4-methylsulfonylphenoxy)aniline
PubChem CID68683708
Molecular FormulaC19H16FNO4S
Molecular Weight373.41 g/mol
Exact Mass373.08
IUPAC Name2-(2-fluorophenoxy)-4-(4-methylsulfonylphenoxy)aniline
SMILESCS(=O)(=O)c1ccc(Oc2ccc(N)c(Oc3ccccc3F)c2)cc1
InChIInChI=1S/C19H16FNO4S/c1-26(22,23)15-9-6-13(7-10-15)24-14-8-11-17(21)19(12-14)25-18-5-3-2-4-16(18)20/h2-12H,21H2,1H3
InChIKeyXHLDGXLVWCRDCJ-UHFFFAOYSA-N
XLogP4.40
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-4-(4-methylsulfonylphenoxy)aniline?
The IUPAC name of 2-(2-fluorophenoxy)-4-(4-methylsulfonylphenoxy)aniline (CID 68683708) is 2-(2-fluorophenoxy)-4-(4-methylsulfonylphenoxy)aniline.
What is the SMILES notation for 2-(2-fluorophenoxy)-4-(4-methylsulfonylphenoxy)aniline?
The canonical SMILES for 2-(2-fluorophenoxy)-4-(4-methylsulfonylphenoxy)aniline is CS(=O)(=O)c1ccc(Oc2ccc(N)c(Oc3ccccc3F)c2)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)-4-(4-methylsulfonylphenoxy)aniline?
The InChIKey is XHLDGXLVWCRDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4S/c1-26(22,23)15-9-6-13(7-10-15)24-14-8-11-17(21)19(12-14)25-18-5-3-2-4-16(18)20/h2-12H,21H2,1H3.
What are the key properties of 2-(2-fluorophenoxy)-4-(4-methylsulfonylphenoxy)aniline?
2-(2-fluorophenoxy)-4-(4-methylsulfonylphenoxy)aniline has a molecular weight of 373.41 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-4-(4-methylsulfonylphenoxy)aniline is sourced from PubChem (CID 68683708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).