4-fluoro-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide

C13H15FN2O3S — CID 106150744

IUPAC4-fluoro-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2c(C)cc(F)cc2C)o1
InChIInChI=1S/C13H15FN2O3S/c1-8-4-11(14)5-9(2)13(8)20(17,18)16-7-12-15-6-10(3)19-12/h4-6,16H,7H2,1-3H3
InChIKeyCETFDIUGSORQOT-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.22
Rot. Bonds4

About 4-fluoro-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide

4-fluoro-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (PubChem CID 106150744) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
PubChem CID106150744
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name4-fluoro-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2c(C)cc(F)cc2C)o1
InChIInChI=1S/C13H15FN2O3S/c1-8-4-11(14)5-9(2)13(8)20(17,18)16-7-12-15-6-10(3)19-12/h4-6,16H,7H2,1-3H3
InChIKeyCETFDIUGSORQOT-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 4-fluoro-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (CID 106150744) is 4-fluoro-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is Cc1cnc(CNS(=O)(=O)c2c(C)cc(F)cc2C)o1.
What is the InChIKey of 4-fluoro-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is CETFDIUGSORQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c1-8-4-11(14)5-9(2)13(8)20(17,18)16-7-12-15-6-10(3)19-12/h4-6,16H,7H2,1-3H3.
What are the key properties of 4-fluoro-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
4-fluoro-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide 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 4-fluoro-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106150744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).