3-(2,2-difluoroethoxy)-N-[4-(sulfamoylmethyl)phenyl]propanamide

C12H16F2N2O4S — CID 103211679

IUPAC3-(2,2-difluoroethoxy)-N-[4-(sulfamoylmethyl)phenyl]propanamide
SMILESNS(=O)(=O)Cc1ccc(NC(=O)CCOCC(F)F)cc1
InChIInChI=1S/C12H16F2N2O4S/c13-11(14)7-20-6-5-12(17)16-10-3-1-9(2-4-10)8-21(15,18)19/h1-4,11H,5-8H2,(H,16,17)(H2,15,18,19)
InChIKeyHGAZTYUWALDHKY-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.09
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-N-[4-(sulfamoylmethyl)phenyl]propanamide

3-(2,2-difluoroethoxy)-N-[4-(sulfamoylmethyl)phenyl]propanamide (PubChem CID 103211679) has the molecular formula C12H16F2N2O4S and a molecular weight of 322.33 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-[4-(sulfamoylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-[4-(sulfamoylmethyl)phenyl]propanamide
PubChem CID103211679
Molecular FormulaC12H16F2N2O4S
Molecular Weight322.33 g/mol
Exact Mass322.08
IUPAC Name3-(2,2-difluoroethoxy)-N-[4-(sulfamoylmethyl)phenyl]propanamide
SMILESNS(=O)(=O)Cc1ccc(NC(=O)CCOCC(F)F)cc1
InChIInChI=1S/C12H16F2N2O4S/c13-11(14)7-20-6-5-12(17)16-10-3-1-9(2-4-10)8-21(15,18)19/h1-4,11H,5-8H2,(H,16,17)(H2,15,18,19)
InChIKeyHGAZTYUWALDHKY-UHFFFAOYSA-N
XLogP1.09
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.09
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-sulfamoylphenyl)propanamide
CID 103208726
N-[4-(2-aminoethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide
CID 103205444
N-[4-(cyanomethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide
CID 103208243
4-[3-(2,2-difluoroethoxy)propanoylamino]benzoic acid
CID 103205766
3-(2,2-difluoroethoxy)-N-(3-fluoro-4-sulfamoylphenyl)propanamide
CID 103208721
N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
CID 82005179
4-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 43711207
(E)-3-[4-[3-(2,2-difluoroethoxy)propanoylamino]phenyl]prop-2-enoic acid
CID 103205841
2-chloro-5-[3-(2,2-difluoroethoxy)propanoylamino]benzoic acid
CID 103205870
3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide
CID 103211671
3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride
CID 119701893
3-(2,2-difluoroethoxy)-N-(2-sulfamoylethyl)propanamide
CID 103211673

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-[4-(sulfamoylmethyl)phenyl]propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-[4-(sulfamoylmethyl)phenyl]propanamide (CID 103211679) is 3-(2,2-difluoroethoxy)-N-[4-(sulfamoylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-[4-(sulfamoylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-[4-(sulfamoylmethyl)phenyl]propanamide is NS(=O)(=O)Cc1ccc(NC(=O)CCOCC(F)F)cc1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-[4-(sulfamoylmethyl)phenyl]propanamide?
The InChIKey is HGAZTYUWALDHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O4S/c13-11(14)7-20-6-5-12(17)16-10-3-1-9(2-4-10)8-21(15,18)19/h1-4,11H,5-8H2,(H,16,17)(H2,15,18,19).
What are the key properties of 3-(2,2-difluoroethoxy)-N-[4-(sulfamoylmethyl)phenyl]propanamide?
3-(2,2-difluoroethoxy)-N-[4-(sulfamoylmethyl)phenyl]propanamide has a molecular weight of 322.33 g/mol, XLogP of 1.09, 8 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-(sulfamoylmethyl)phenyl]propanamide is sourced from PubChem (CID 103211679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).