3-(2,2-difluoroethoxy)-N-(3-fluoro-4-sulfamoylphenyl)propanamide

C11H13F3N2O4S — CID 103208721

IUPAC3-(2,2-difluoroethoxy)-N-(3-fluoro-4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCOCC(F)F)cc1F
InChIInChI=1S/C11H13F3N2O4S/c12-8-5-7(1-2-9(8)21(15,18)19)16-11(17)3-4-20-6-10(13)14/h1-2,5,10H,3-4,6H2,(H,16,17)(H2,15,18,19)
InChIKeyUJCKNCXCUTVHBS-UHFFFAOYSA-N
MW326.30 g/mol
LogP1.08
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-(3-fluoro-4-sulfamoylphenyl)propanamide

3-(2,2-difluoroethoxy)-N-(3-fluoro-4-sulfamoylphenyl)propanamide (PubChem CID 103208721) has the molecular formula C11H13F3N2O4S and a molecular weight of 326.30 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(3-fluoro-4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(3-fluoro-4-sulfamoylphenyl)propanamide
PubChem CID103208721
Molecular FormulaC11H13F3N2O4S
Molecular Weight326.30 g/mol
Exact Mass326.05
IUPAC Name3-(2,2-difluoroethoxy)-N-(3-fluoro-4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCOCC(F)F)cc1F
InChIInChI=1S/C11H13F3N2O4S/c12-8-5-7(1-2-9(8)21(15,18)19)16-11(17)3-4-20-6-10(13)14/h1-2,5,10H,3-4,6H2,(H,16,17)(H2,15,18,19)
InChIKeyUJCKNCXCUTVHBS-UHFFFAOYSA-N
XLogP1.08
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2,2-difluoroethoxy)-N-(3-fluoro-4-sulfamoylphenyl)propanamide 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

3-(2,2-difluoroethoxy)-N-(4-sulfamoylphenyl)propanamide
CID 103208726
3-(2,2-difluoroethoxy)-N-[4-(sulfamoylmethyl)phenyl]propanamide
CID 103211679
3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide
CID 103211671
N-[4-(2-aminoethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide
CID 103205444
2-chloro-5-[3-(2,2-difluoroethoxy)propanoylamino]benzoic acid
CID 103205870
4-[3-(2,2-difluoroethoxy)propanoylamino]benzoic acid
CID 103205766
N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide
CID 62716850
N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
CID 82005179
N-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide
CID 65155549
N-(3-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
CID 104520210
3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide
CID 64780505
N-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide
CID 107697254

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(3-fluoro-4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(3-fluoro-4-sulfamoylphenyl)propanamide (CID 103208721) is 3-(2,2-difluoroethoxy)-N-(3-fluoro-4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(3-fluoro-4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(3-fluoro-4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(NC(=O)CCOCC(F)F)cc1F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(3-fluoro-4-sulfamoylphenyl)propanamide?
The InChIKey is UJCKNCXCUTVHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4S/c12-8-5-7(1-2-9(8)21(15,18)19)16-11(17)3-4-20-6-10(13)14/h1-2,5,10H,3-4,6H2,(H,16,17)(H2,15,18,19).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(3-fluoro-4-sulfamoylphenyl)propanamide?
3-(2,2-difluoroethoxy)-N-(3-fluoro-4-sulfamoylphenyl)propanamide has a molecular weight of 326.30 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(3-fluoro-4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 103208721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).