2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide

C10H12FNO3S — CID 67011467

IUPAC2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C10H12FNO3S/c1-12(2)10(13)7-16(14,15)9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3
InChIKeyFUKVOLHBYDOFOZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.69
Rot. Bonds3

About 2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide

2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide (PubChem CID 67011467) has the molecular formula C10H12FNO3S and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide
PubChem CID67011467
Molecular FormulaC10H12FNO3S
Molecular Weight245.28 g/mol
Exact Mass245.05
IUPAC Name2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C10H12FNO3S/c1-12(2)10(13)7-16(14,15)9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3
InChIKeyFUKVOLHBYDOFOZ-UHFFFAOYSA-N
XLogP0.69
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide 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 2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide?
The IUPAC name of 2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide (CID 67011467) is 2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide is CN(C)C(=O)CS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide?
The InChIKey is FUKVOLHBYDOFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3S/c1-12(2)10(13)7-16(14,15)9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide?
2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide has a molecular weight of 245.28 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide is sourced from PubChem (CID 67011467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).