N-(2-fluoroprop-1-enyl)-3-methylsulfonylaniline

C10H12FNO2S — CID 68798184

IUPACN-(2-fluoroprop-1-enyl)-3-methylsulfonylaniline
SMILESCC(F)=CNc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C10H12FNO2S/c1-8(11)7-12-9-4-3-5-10(6-9)15(2,13)14/h3-7,12H,1-2H3
InChIKeyXOLPHRCZBOKFBD-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.33
Rot. Bonds3

About N-(2-fluoroprop-1-enyl)-3-methylsulfonylaniline

N-(2-fluoroprop-1-enyl)-3-methylsulfonylaniline (PubChem CID 68798184) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(2-fluoroprop-1-enyl)-3-methylsulfonylaniline.

Molecular Properties

Compound NameN-(2-fluoroprop-1-enyl)-3-methylsulfonylaniline
PubChem CID68798184
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC NameN-(2-fluoroprop-1-enyl)-3-methylsulfonylaniline
SMILESCC(F)=CNc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C10H12FNO2S/c1-8(11)7-12-9-4-3-5-10(6-9)15(2,13)14/h3-7,12H,1-2H3
InChIKeyXOLPHRCZBOKFBD-UHFFFAOYSA-N
XLogP2.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroprop-1-enyl)-3-methylsulfonylaniline?
The IUPAC name of N-(2-fluoroprop-1-enyl)-3-methylsulfonylaniline (CID 68798184) is N-(2-fluoroprop-1-enyl)-3-methylsulfonylaniline.
What is the SMILES notation for N-(2-fluoroprop-1-enyl)-3-methylsulfonylaniline?
The canonical SMILES for N-(2-fluoroprop-1-enyl)-3-methylsulfonylaniline is CC(F)=CNc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-(2-fluoroprop-1-enyl)-3-methylsulfonylaniline?
The InChIKey is XOLPHRCZBOKFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-8(11)7-12-9-4-3-5-10(6-9)15(2,13)14/h3-7,12H,1-2H3.
What are the key properties of N-(2-fluoroprop-1-enyl)-3-methylsulfonylaniline?
N-(2-fluoroprop-1-enyl)-3-methylsulfonylaniline has a molecular weight of 229.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroprop-1-enyl)-3-methylsulfonylaniline is sourced from PubChem (CID 68798184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).