2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide

C10H14FNO4S2 — CID 78924987

IUPAC2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H14FNO4S2/c1-12(7-8-17(2,13)14)18(15,16)10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3
InChIKeyFNAJWVANCXFEIY-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.49
Rot. Bonds5

About 2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide

2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide (PubChem CID 78924987) has the molecular formula C10H14FNO4S2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
PubChem CID78924987
Molecular FormulaC10H14FNO4S2
Molecular Weight295.36 g/mol
Exact Mass295.03
IUPAC Name2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H14FNO4S2/c1-12(7-8-17(2,13)14)18(15,16)10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3
InChIKeyFNAJWVANCXFEIY-UHFFFAOYSA-N
XLogP0.49
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide (CID 78924987) is 2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide is CN(CCS(C)(=O)=O)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The InChIKey is FNAJWVANCXFEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO4S2/c1-12(7-8-17(2,13)14)18(15,16)10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 78924987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).