2-(3-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]ethanesulfonamide

C13H15FN2O3S — CID 138018133

IUPAC2-(3-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]ethanesulfonamide
SMILESCc1ncoc1CNS(=O)(=O)CCc1cccc(F)c1
InChIInChI=1S/C13H15FN2O3S/c1-10-13(19-9-15-10)8-16-20(17,18)6-5-11-3-2-4-12(14)7-11/h2-4,7,9,16H,5-6,8H2,1H3
InChIKeySGZGXYILSCYRKN-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.78
Rot. Bonds6

About 2-(3-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]ethanesulfonamide

2-(3-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]ethanesulfonamide (PubChem CID 138018133) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]ethanesulfonamide
PubChem CID138018133
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name2-(3-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]ethanesulfonamide
SMILESCc1ncoc1CNS(=O)(=O)CCc1cccc(F)c1
InChIInChI=1S/C13H15FN2O3S/c1-10-13(19-9-15-10)8-16-20(17,18)6-5-11-3-2-4-12(14)7-11/h2-4,7,9,16H,5-6,8H2,1H3
InChIKeySGZGXYILSCYRKN-UHFFFAOYSA-N
XLogP1.78
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]ethanesulfonamide (CID 138018133) is 2-(3-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]ethanesulfonamide is Cc1ncoc1CNS(=O)(=O)CCc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]ethanesulfonamide?
The InChIKey is SGZGXYILSCYRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c1-10-13(19-9-15-10)8-16-20(17,18)6-5-11-3-2-4-12(14)7-11/h2-4,7,9,16H,5-6,8H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]ethanesulfonamide?
2-(3-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]ethanesulfonamide has a molecular weight of 298.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 138018133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).