N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide

C11H10F3N3O3S — CID 75519639

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)o1
InChIInChI=1S/C11H10F3N3O3S/c1-7-4-16-10(20-7)6-17-21(18,19)8-2-3-9(15-5-8)11(12,13)14/h2-5,17H,6H2,1H3
InChIKeyZGIIBPBPTGVWJV-UHFFFAOYSA-N
MW321.28 g/mol
LogP1.88
Rot. Bonds4

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 75519639) has the molecular formula C11H10F3N3O3S and a molecular weight of 321.28 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID75519639
Molecular FormulaC11H10F3N3O3S
Molecular Weight321.28 g/mol
Exact Mass321.04
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)o1
InChIInChI=1S/C11H10F3N3O3S/c1-7-4-16-10(20-7)6-17-21(18,19)8-2-3-9(15-5-8)11(12,13)14/h2-5,17H,6H2,1H3
InChIKeyZGIIBPBPTGVWJV-UHFFFAOYSA-N
XLogP1.88
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 75519639) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide is Cc1cnc(CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is ZGIIBPBPTGVWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3S/c1-7-4-16-10(20-7)6-17-21(18,19)8-2-3-9(15-5-8)11(12,13)14/h2-5,17H,6H2,1H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 321.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 75519639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).