N-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide

C13H17FN2O4S — CID 65155549

IUPACN-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCC2CCCO2)cc1F
InChIInChI=1S/C13H17FN2O4S/c14-11-8-9(3-5-12(11)21(15,18)19)16-13(17)6-4-10-2-1-7-20-10/h3,5,8,10H,1-2,4,6-7H2,(H,16,17)(H2,15,18,19)
InChIKeyJXAOWUMQBANNMK-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.37
Rot. Bonds5

About N-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide

N-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide (PubChem CID 65155549) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is N-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide
PubChem CID65155549
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC NameN-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCC2CCCO2)cc1F
InChIInChI=1S/C13H17FN2O4S/c14-11-8-9(3-5-12(11)21(15,18)19)16-13(17)6-4-10-2-1-7-20-10/h3,5,8,10H,1-2,4,6-7H2,(H,16,17)(H2,15,18,19)
InChIKeyJXAOWUMQBANNMK-UHFFFAOYSA-N
XLogP1.37
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)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

N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-yl)propanamide
CID 55605507
N-[3-(aminomethyl)-4-fluorophenyl]-3-(oxan-2-yl)propanamide
CID 63953098
N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65155493
2-hydroxy-5-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 43353096
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710
7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide
CID 119892317
N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 103824581
N-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride
CID 119419458
2-bromo-5-[3-(oxan-2-yl)propanoylamino]benzoic acid
CID 115295879
N-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 114299310
N-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63953371

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide (CID 65155549) is N-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide is NS(=O)(=O)c1ccc(NC(=O)CCC2CCCO2)cc1F.
What is the InChIKey of N-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide?
The InChIKey is JXAOWUMQBANNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c14-11-8-9(3-5-12(11)21(15,18)19)16-13(17)6-4-10-2-1-7-20-10/h3,5,8,10H,1-2,4,6-7H2,(H,16,17)(H2,15,18,19).
What are the key properties of N-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide?
N-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide has a molecular weight of 316.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 65155549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).