3,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1,2-oxazole-4-sulfonamide

C15H19F3N4O3S — CID 72718591

IUPAC3,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C15H19F3N4O3S/c1-9-13(10(2)25-21-9)26(23,24)19-7-8-22-12-6-4-3-5-11(12)14(20-22)15(16,17)18/h19H,3-8H2,1-2H3
InChIKeyPSDFRLFPIQZFLV-UHFFFAOYSA-N
MW392.40 g/mol
LogP2.36
Rot. Bonds5

About 3,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1,2-oxazole-4-sulfonamide (PubChem CID 72718591) has the molecular formula C15H19F3N4O3S and a molecular weight of 392.40 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1,2-oxazole-4-sulfonamide
PubChem CID72718591
Molecular FormulaC15H19F3N4O3S
Molecular Weight392.40 g/mol
Exact Mass392.11
IUPAC Name3,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C15H19F3N4O3S/c1-9-13(10(2)25-21-9)26(23,24)19-7-8-22-12-6-4-3-5-11(12)14(20-22)15(16,17)18/h19H,3-8H2,1-2H3
InChIKeyPSDFRLFPIQZFLV-UHFFFAOYSA-N
XLogP2.36
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1,2-oxazole-4-sulfonamide (CID 72718591) is 3,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCn1nc(C(F)(F)F)c2c1CCCC2.
What is the InChIKey of 3,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is PSDFRLFPIQZFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O3S/c1-9-13(10(2)25-21-9)26(23,24)19-7-8-22-12-6-4-3-5-11(12)14(20-22)15(16,17)18/h19H,3-8H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 392.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 72718591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).