2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide

C13H13F3N2O3S — CID 71976650

IUPAC2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2C)o1
InChIInChI=1S/C13H13F3N2O3S/c1-8-3-4-10(13(14,15)16)5-11(8)22(19,20)18-7-12-17-6-9(2)21-12/h3-6,18H,7H2,1-2H3
InChIKeyNUJRDFYALSWDGB-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.79
Rot. Bonds4

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

2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 71976650) has the molecular formula C13H13F3N2O3S and a molecular weight of 334.32 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID71976650
Molecular FormulaC13H13F3N2O3S
Molecular Weight334.32 g/mol
Exact Mass334.06
IUPAC Name2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2C)o1
InChIInChI=1S/C13H13F3N2O3S/c1-8-3-4-10(13(14,15)16)5-11(8)22(19,20)18-7-12-17-6-9(2)21-12/h3-6,18H,7H2,1-2H3
InChIKeyNUJRDFYALSWDGB-UHFFFAOYSA-N
XLogP2.79
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide (CID 71976650) is 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide is Cc1cnc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2C)o1.
What is the InChIKey of 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NUJRDFYALSWDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3S/c1-8-3-4-10(13(14,15)16)5-11(8)22(19,20)18-7-12-17-6-9(2)21-12/h3-6,18H,7H2,1-2H3.
What are the key properties of 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 334.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71976650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).