2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide

C13H12FN3O3S — CID 104920028

IUPAC2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2cccc(F)c2C#N)o1
InChIInChI=1S/C13H12FN3O3S/c1-2-9-7-16-13(20-9)8-17-21(18,19)12-5-3-4-11(14)10(12)6-15/h3-5,7,17H,2,8H2,1H3
InChIKeyCZJHYFLEHZKXLK-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.73
Rot. Bonds5

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

2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide (PubChem CID 104920028) has the molecular formula C13H12FN3O3S and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide
PubChem CID104920028
Molecular FormulaC13H12FN3O3S
Molecular Weight309.32 g/mol
Exact Mass309.06
IUPAC Name2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2cccc(F)c2C#N)o1
InChIInChI=1S/C13H12FN3O3S/c1-2-9-7-16-13(20-9)8-17-21(18,19)12-5-3-4-11(14)10(12)6-15/h3-5,7,17H,2,8H2,1H3
InChIKeyCZJHYFLEHZKXLK-UHFFFAOYSA-N
XLogP1.73
TPSA95.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide 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 2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide?
The IUPAC name of 2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide (CID 104920028) is 2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide is CCc1cnc(CNS(=O)(=O)c2cccc(F)c2C#N)o1.
What is the InChIKey of 2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide?
The InChIKey is CZJHYFLEHZKXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3S/c1-2-9-7-16-13(20-9)8-17-21(18,19)12-5-3-4-11(14)10(12)6-15/h3-5,7,17H,2,8H2,1H3.
What are the key properties of 2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide?
2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide has a molecular weight of 309.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 104920028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).