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

C11H14F2N2O4S — CID 103208726

IUPAC3-(2,2-difluoroethoxy)-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCOCC(F)F)cc1
InChIInChI=1S/C11H14F2N2O4S/c12-10(13)7-19-6-5-11(16)15-8-1-3-9(4-2-8)20(14,17)18/h1-4,10H,5-7H2,(H,15,16)(H2,14,17,18)
InChIKeyBRQRPKIKNSKSCP-UHFFFAOYSA-N
MW308.31 g/mol
LogP0.94
Rot. Bonds7

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

3-(2,2-difluoroethoxy)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 103208726) has the molecular formula C11H14F2N2O4S and a molecular weight of 308.31 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(4-sulfamoylphenyl)propanamide
PubChem CID103208726
Molecular FormulaC11H14F2N2O4S
Molecular Weight308.31 g/mol
Exact Mass308.06
IUPAC Name3-(2,2-difluoroethoxy)-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCOCC(F)F)cc1
InChIInChI=1S/C11H14F2N2O4S/c12-10(13)7-19-6-5-11(16)15-8-1-3-9(4-2-8)20(14,17)18/h1-4,10H,5-7H2,(H,15,16)(H2,14,17,18)
InChIKeyBRQRPKIKNSKSCP-UHFFFAOYSA-N
XLogP0.94
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-difluoroethoxy)-N-[4-(sulfamoylmethyl)phenyl]propanamide
CID 103211679
3-(2,2-difluoroethoxy)-N-(3-fluoro-4-sulfamoylphenyl)propanamide
CID 103208721
4-[3-(2,2-difluoroethoxy)propanoylamino]benzoic acid
CID 103205766
N-[4-(2-aminoethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide
CID 103205444
N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
CID 82005179
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(4-sulfamoylphenyl)propanamide
CID 59408690
N-[4-(cyanomethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide
CID 103208243
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
(E)-3-[4-[3-(2,2-difluoroethoxy)propanoylamino]phenyl]prop-2-enoic acid
CID 103205841
3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide
CID 103211671
3-(2-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 24640601
methyl 4-oxo-4-(4-sulfamoylanilino)butanoate
CID 721949

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(4-sulfamoylphenyl)propanamide (CID 103208726) is 3-(2,2-difluoroethoxy)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(NC(=O)CCOCC(F)F)cc1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is BRQRPKIKNSKSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O4S/c12-10(13)7-19-6-5-11(16)15-8-1-3-9(4-2-8)20(14,17)18/h1-4,10H,5-7H2,(H,15,16)(H2,14,17,18).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(4-sulfamoylphenyl)propanamide?
3-(2,2-difluoroethoxy)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 308.31 g/mol, XLogP of 0.94, 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-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 103208726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).