N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide

C13H15FN2O3S — CID 47359076

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nc(C)c(C)o2)cc1F
InChIInChI=1S/C13H15FN2O3S/c1-8-4-5-11(6-12(8)14)20(17,18)15-7-13-16-9(2)10(3)19-13/h4-6,15H,7H2,1-3H3
InChIKeyLPGOQHOMHUSZTN-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.22
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide (PubChem CID 47359076) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide
PubChem CID47359076
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nc(C)c(C)o2)cc1F
InChIInChI=1S/C13H15FN2O3S/c1-8-4-5-11(6-12(8)14)20(17,18)15-7-13-16-9(2)10(3)19-13/h4-6,15H,7H2,1-3H3
InChIKeyLPGOQHOMHUSZTN-UHFFFAOYSA-N
XLogP2.22
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide (CID 47359076) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2nc(C)c(C)o2)cc1F.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide?
The InChIKey is LPGOQHOMHUSZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c1-8-4-5-11(6-12(8)14)20(17,18)15-7-13-16-9(2)10(3)19-13/h4-6,15H,7H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide has a molecular weight of 298.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide is sourced from PubChem (CID 47359076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).