3-fluoro-N-methyl-2-methylsulfonylaniline

C8H10FNO2S — CID 83410391

IUPAC3-fluoro-N-methyl-2-methylsulfonylaniline
SMILESCNc1cccc(F)c1S(C)(=O)=O
InChIInChI=1S/C8H10FNO2S/c1-10-7-5-3-4-6(9)8(7)13(2,11)12/h3-5,10H,1-2H3
InChIKeyAEOWQWIRWBOVIO-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.27
Rot. Bonds2

About 3-fluoro-N-methyl-2-methylsulfonylaniline

3-fluoro-N-methyl-2-methylsulfonylaniline (PubChem CID 83410391) has the molecular formula C8H10FNO2S and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-fluoro-N-methyl-2-methylsulfonylaniline.

Molecular Properties

Compound Name3-fluoro-N-methyl-2-methylsulfonylaniline
PubChem CID83410391
Molecular FormulaC8H10FNO2S
Molecular Weight203.24 g/mol
Exact Mass203.04
IUPAC Name3-fluoro-N-methyl-2-methylsulfonylaniline
SMILESCNc1cccc(F)c1S(C)(=O)=O
InChIInChI=1S/C8H10FNO2S/c1-10-7-5-3-4-6(9)8(7)13(2,11)12/h3-5,10H,1-2H3
InChIKeyAEOWQWIRWBOVIO-UHFFFAOYSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-2-methylsulfonylaniline?
The IUPAC name of 3-fluoro-N-methyl-2-methylsulfonylaniline (CID 83410391) is 3-fluoro-N-methyl-2-methylsulfonylaniline.
What is the SMILES notation for 3-fluoro-N-methyl-2-methylsulfonylaniline?
The canonical SMILES for 3-fluoro-N-methyl-2-methylsulfonylaniline is CNc1cccc(F)c1S(C)(=O)=O.
What is the InChIKey of 3-fluoro-N-methyl-2-methylsulfonylaniline?
The InChIKey is AEOWQWIRWBOVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S/c1-10-7-5-3-4-6(9)8(7)13(2,11)12/h3-5,10H,1-2H3.
What are the key properties of 3-fluoro-N-methyl-2-methylsulfonylaniline?
3-fluoro-N-methyl-2-methylsulfonylaniline has a molecular weight of 203.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-2-methylsulfonylaniline is sourced from PubChem (CID 83410391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).