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

C13H12FN3O3S — CID 103947086

IUPAC2-cyano-3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2cccc(F)c2C#N)o1
InChIInChI=1S/C13H12FN3O3S/c1-8-7-16-13(20-8)9(2)17-21(18,19)12-5-3-4-11(14)10(12)6-15/h3-5,7,9,17H,1-2H3
InChIKeySEOJBQXMANLIPC-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.03
Rot. Bonds4

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

2-cyano-3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 103947086) has the molecular formula C13H12FN3O3S and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-cyano-3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
PubChem CID103947086
Molecular FormulaC13H12FN3O3S
Molecular Weight309.32 g/mol
Exact Mass309.06
IUPAC Name2-cyano-3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2cccc(F)c2C#N)o1
InChIInChI=1S/C13H12FN3O3S/c1-8-7-16-13(20-8)9(2)17-21(18,19)12-5-3-4-11(14)10(12)6-15/h3-5,7,9,17H,1-2H3
InChIKeySEOJBQXMANLIPC-UHFFFAOYSA-N
XLogP2.03
TPSA95.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-cyano-3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide (CID 103947086) is 2-cyano-3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide is Cc1cnc(C(C)NS(=O)(=O)c2cccc(F)c2C#N)o1.
What is the InChIKey of 2-cyano-3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is SEOJBQXMANLIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3S/c1-8-7-16-13(20-8)9(2)17-21(18,19)12-5-3-4-11(14)10(12)6-15/h3-5,7,9,17H,1-2H3.
What are the key properties of 2-cyano-3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
2-cyano-3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 309.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 103947086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).