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

C10H12FNO2S — CID 123889979

IUPACN-(3-fluoroprop-2-enyl)-2-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccccc1NCC=CF
InChIInChI=1S/C10H12FNO2S/c1-15(13,14)10-6-3-2-5-9(10)12-8-4-7-11/h2-7,12H,8H2,1H3
InChIKeyJJICQXIGPHCTSQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.99
Rot. Bonds4

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

N-(3-fluoroprop-2-enyl)-2-methylsulfonylaniline (PubChem CID 123889979) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(3-fluoroprop-2-enyl)-2-methylsulfonylaniline.

Molecular Properties

Compound NameN-(3-fluoroprop-2-enyl)-2-methylsulfonylaniline
PubChem CID123889979
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC NameN-(3-fluoroprop-2-enyl)-2-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccccc1NCC=CF
InChIInChI=1S/C10H12FNO2S/c1-15(13,14)10-6-3-2-5-9(10)12-8-4-7-11/h2-7,12H,8H2,1H3
InChIKeyJJICQXIGPHCTSQ-UHFFFAOYSA-N
XLogP1.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoroprop-2-enyl)-2-methylsulfonylaniline?
The IUPAC name of N-(3-fluoroprop-2-enyl)-2-methylsulfonylaniline (CID 123889979) is N-(3-fluoroprop-2-enyl)-2-methylsulfonylaniline.
What is the SMILES notation for N-(3-fluoroprop-2-enyl)-2-methylsulfonylaniline?
The canonical SMILES for N-(3-fluoroprop-2-enyl)-2-methylsulfonylaniline is CS(=O)(=O)c1ccccc1NCC=CF.
What is the InChIKey of N-(3-fluoroprop-2-enyl)-2-methylsulfonylaniline?
The InChIKey is JJICQXIGPHCTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-15(13,14)10-6-3-2-5-9(10)12-8-4-7-11/h2-7,12H,8H2,1H3.
What are the key properties of N-(3-fluoroprop-2-enyl)-2-methylsulfonylaniline?
N-(3-fluoroprop-2-enyl)-2-methylsulfonylaniline has a molecular weight of 229.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoroprop-2-enyl)-2-methylsulfonylaniline is sourced from PubChem (CID 123889979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).