2-[(6-fluorocyclohexa-1,5-dien-1-yl)-(2-fluorophenyl)methyl]sulfinylacetamide

C15H15F2NO2S — CID 146499309

IUPAC2-[(6-fluorocyclohexa-1,5-dien-1-yl)-(2-fluorophenyl)methyl]sulfinylacetamide
SMILESNC(=O)CS(=O)C(C1=CCCC=C1F)c1ccccc1F
InChIInChI=1S/C15H15F2NO2S/c16-12-7-3-1-5-10(12)15(21(20)9-14(18)19)11-6-2-4-8-13(11)17/h1,3,5-8,15H,2,4,9H2,(H2,18,19)
InChIKeyXZJSPLJNSJGICP-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.67
Rot. Bonds5

About 2-[(6-fluorocyclohexa-1,5-dien-1-yl)-(2-fluorophenyl)methyl]sulfinylacetamide

2-[(6-fluorocyclohexa-1,5-dien-1-yl)-(2-fluorophenyl)methyl]sulfinylacetamide (PubChem CID 146499309) has the molecular formula C15H15F2NO2S and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-[(6-fluorocyclohexa-1,5-dien-1-yl)-(2-fluorophenyl)methyl]sulfinylacetamide.

Molecular Properties

Compound Name2-[(6-fluorocyclohexa-1,5-dien-1-yl)-(2-fluorophenyl)methyl]sulfinylacetamide
PubChem CID146499309
Molecular FormulaC15H15F2NO2S
Molecular Weight311.35 g/mol
Exact Mass311.08
IUPAC Name2-[(6-fluorocyclohexa-1,5-dien-1-yl)-(2-fluorophenyl)methyl]sulfinylacetamide
SMILESNC(=O)CS(=O)C(C1=CCCC=C1F)c1ccccc1F
InChIInChI=1S/C15H15F2NO2S/c16-12-7-3-1-5-10(12)15(21(20)9-14(18)19)11-6-2-4-8-13(11)17/h1,3,5-8,15H,2,4,9H2,(H2,18,19)
InChIKeyXZJSPLJNSJGICP-UHFFFAOYSA-N
XLogP2.67
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(6-fluorocyclohexa-1,5-dien-1-yl)-(2-fluorophenyl)methyl]sulfinylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-fluoro-2-(2-fluorophenyl)acetamide
CID 115013813
2-(2-fluorophenyl)-2-phenylacetamide
CID 122446902
(3S)-5-amino-3-(2-fluorophenyl)-5-oxopentanoic acid
CID 97013866
2-(2-fluorophenyl)pentanediamide
CID 20546135
2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 16770602
methyl (2S)-2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-(2-fluorophenyl)acetate
CID 95899793
2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 110892661
2-[1-(2-fluorophenyl)propylamino]acetamide
CID 112676826
5-amino-5-(2-fluorophenyl)pentan-2-one
CID 116940768
[3-amino-3-(2-fluorophenyl)propyl] carbamate;methane
CID 158668291
2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide
CID 166408408
4-amino-2-(2-fluorophenyl)butanoic acid
CID 82158228

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluorocyclohexa-1,5-dien-1-yl)-(2-fluorophenyl)methyl]sulfinylacetamide?
The IUPAC name of 2-[(6-fluorocyclohexa-1,5-dien-1-yl)-(2-fluorophenyl)methyl]sulfinylacetamide (CID 146499309) is 2-[(6-fluorocyclohexa-1,5-dien-1-yl)-(2-fluorophenyl)methyl]sulfinylacetamide.
What is the SMILES notation for 2-[(6-fluorocyclohexa-1,5-dien-1-yl)-(2-fluorophenyl)methyl]sulfinylacetamide?
The canonical SMILES for 2-[(6-fluorocyclohexa-1,5-dien-1-yl)-(2-fluorophenyl)methyl]sulfinylacetamide is NC(=O)CS(=O)C(C1=CCCC=C1F)c1ccccc1F.
What is the InChIKey of 2-[(6-fluorocyclohexa-1,5-dien-1-yl)-(2-fluorophenyl)methyl]sulfinylacetamide?
The InChIKey is XZJSPLJNSJGICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2S/c16-12-7-3-1-5-10(12)15(21(20)9-14(18)19)11-6-2-4-8-13(11)17/h1,3,5-8,15H,2,4,9H2,(H2,18,19).
What are the key properties of 2-[(6-fluorocyclohexa-1,5-dien-1-yl)-(2-fluorophenyl)methyl]sulfinylacetamide?
2-[(6-fluorocyclohexa-1,5-dien-1-yl)-(2-fluorophenyl)methyl]sulfinylacetamide has a molecular weight of 311.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluorocyclohexa-1,5-dien-1-yl)-(2-fluorophenyl)methyl]sulfinylacetamide is sourced from PubChem (CID 146499309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).