N-ethylsulfonyl-2-fluoro-2-methylpropanamide

C6H12FNO3S — CID 130677763

IUPACN-ethylsulfonyl-2-fluoro-2-methylpropanamide
SMILESCCS(=O)(=O)NC(=O)C(C)(C)F
InChIInChI=1S/C6H12FNO3S/c1-4-12(10,11)8-5(9)6(2,3)7/h4H2,1-3H3,(H,8,9)
InChIKeyAHTIDFOGHBIJOF-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.20
Rot. Bonds3

About N-ethylsulfonyl-2-fluoro-2-methylpropanamide

N-ethylsulfonyl-2-fluoro-2-methylpropanamide (PubChem CID 130677763) has the molecular formula C6H12FNO3S and a molecular weight of 197.23 g/mol. Its IUPAC name is N-ethylsulfonyl-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-ethylsulfonyl-2-fluoro-2-methylpropanamide
PubChem CID130677763
Molecular FormulaC6H12FNO3S
Molecular Weight197.23 g/mol
Exact Mass197.05
IUPAC NameN-ethylsulfonyl-2-fluoro-2-methylpropanamide
SMILESCCS(=O)(=O)NC(=O)C(C)(C)F
InChIInChI=1S/C6H12FNO3S/c1-4-12(10,11)8-5(9)6(2,3)7/h4H2,1-3H3,(H,8,9)
InChIKeyAHTIDFOGHBIJOF-UHFFFAOYSA-N
XLogP0.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethylsulfonyl-2-fluoro-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonyl-2-fluoro-2-methylpropanamide?
The IUPAC name of N-ethylsulfonyl-2-fluoro-2-methylpropanamide (CID 130677763) is N-ethylsulfonyl-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-ethylsulfonyl-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-ethylsulfonyl-2-fluoro-2-methylpropanamide is CCS(=O)(=O)NC(=O)C(C)(C)F.
What is the InChIKey of N-ethylsulfonyl-2-fluoro-2-methylpropanamide?
The InChIKey is AHTIDFOGHBIJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO3S/c1-4-12(10,11)8-5(9)6(2,3)7/h4H2,1-3H3,(H,8,9).
What are the key properties of N-ethylsulfonyl-2-fluoro-2-methylpropanamide?
N-ethylsulfonyl-2-fluoro-2-methylpropanamide has a molecular weight of 197.23 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfonyl-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 130677763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).