N-ethyl-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide

C13H15FN2O3S — CID 75435457

IUPACN-ethyl-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCCN(Cc1ncc(C)o1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H15FN2O3S/c1-3-16(9-13-15-8-10(2)19-13)20(17,18)12-6-4-5-11(14)7-12/h4-8H,3,9H2,1-2H3
InChIKeyUHSZKICHRQKARY-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.33
Rot. Bonds5

About N-ethyl-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide

N-ethyl-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (PubChem CID 75435457) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
PubChem CID75435457
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC NameN-ethyl-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCCN(Cc1ncc(C)o1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H15FN2O3S/c1-3-16(9-13-15-8-10(2)19-13)20(17,18)12-6-4-5-11(14)7-12/h4-8H,3,9H2,1-2H3
InChIKeyUHSZKICHRQKARY-UHFFFAOYSA-N
XLogP2.33
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-ethyl-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide 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 N-ethyl-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of N-ethyl-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (CID 75435457) is N-ethyl-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is CCN(Cc1ncc(C)o1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-ethyl-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is UHSZKICHRQKARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c1-3-16(9-13-15-8-10(2)19-13)20(17,18)12-6-4-5-11(14)7-12/h4-8H,3,9H2,1-2H3.
What are the key properties of N-ethyl-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
N-ethyl-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 298.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 75435457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).