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

C11H16F3N3O2S — CID 72718587

IUPACN-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C11H16F3N3O2S/c1-20(18,19)15-6-7-17-9-5-3-2-4-8(9)10(16-17)11(12,13)14/h15H,2-7H2,1H3
InChIKeyUVLXFIGSKIVBLY-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.33
Rot. Bonds4

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

N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]methanesulfonamide (PubChem CID 72718587) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]methanesulfonamide
PubChem CID72718587
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC NameN-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C11H16F3N3O2S/c1-20(18,19)15-6-7-17-9-5-3-2-4-8(9)10(16-17)11(12,13)14/h15H,2-7H2,1H3
InChIKeyUVLXFIGSKIVBLY-UHFFFAOYSA-N
XLogP1.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]methanesulfonamide (CID 72718587) is N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCn1nc(C(F)(F)F)c2c1CCCC2.
What is the InChIKey of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]methanesulfonamide?
The InChIKey is UVLXFIGSKIVBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-20(18,19)15-6-7-17-9-5-3-2-4-8(9)10(16-17)11(12,13)14/h15H,2-7H2,1H3.
What are the key properties of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]methanesulfonamide?
N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]methanesulfonamide has a molecular weight of 311.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 72718587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).