2,2,2-trifluoro-N-[(3R)-3-(1H-indazol-5-yl)-2-methyl-3-phenylpropyl]ethanesulfonamide

C19H20F3N3O2S — CID 67963391

IUPAC2,2,2-trifluoro-N-[(3R)-3-(1H-indazol-5-yl)-2-methyl-3-phenylpropyl]ethanesulfonamide
SMILESCC(CNS(=O)(=O)CC(F)(F)F)[C@H](c1ccccc1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C19H20F3N3O2S/c1-13(10-24-28(26,27)12-19(20,21)22)18(14-5-3-2-4-6-14)15-7-8-17-16(9-15)11-23-25-17/h2-9,11,13,18,24H,10,12H2,1H3,(H,23,25)/t13?,18-/m1/s1
InChIKeyKLXPJCRCLHMBIU-PQJIZZRHSA-N
MW411.45 g/mol
LogP3.81
Rot. Bonds7

About 2,2,2-trifluoro-N-[(3R)-3-(1H-indazol-5-yl)-2-methyl-3-phenylpropyl]ethanesulfonamide

2,2,2-trifluoro-N-[(3R)-3-(1H-indazol-5-yl)-2-methyl-3-phenylpropyl]ethanesulfonamide (PubChem CID 67963391) has the molecular formula C19H20F3N3O2S and a molecular weight of 411.45 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3R)-3-(1H-indazol-5-yl)-2-methyl-3-phenylpropyl]ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3R)-3-(1H-indazol-5-yl)-2-methyl-3-phenylpropyl]ethanesulfonamide
PubChem CID67963391
Molecular FormulaC19H20F3N3O2S
Molecular Weight411.45 g/mol
Exact Mass411.12
IUPAC Name2,2,2-trifluoro-N-[(3R)-3-(1H-indazol-5-yl)-2-methyl-3-phenylpropyl]ethanesulfonamide
SMILESCC(CNS(=O)(=O)CC(F)(F)F)[C@H](c1ccccc1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C19H20F3N3O2S/c1-13(10-24-28(26,27)12-19(20,21)22)18(14-5-3-2-4-6-14)15-7-8-17-16(9-15)11-23-25-17/h2-9,11,13,18,24H,10,12H2,1H3,(H,23,25)/t13?,18-/m1/s1
InChIKeyKLXPJCRCLHMBIU-PQJIZZRHSA-N
XLogP3.81
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[(3R)-3-(1H-indazol-5-yl)-2-methyl-3-phenylpropyl]ethanesulfonamide 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 2,2,2-trifluoro-N-[(3R)-3-(1H-indazol-5-yl)-2-methyl-3-phenylpropyl]ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3R)-3-(1H-indazol-5-yl)-2-methyl-3-phenylpropyl]ethanesulfonamide (CID 67963391) is 2,2,2-trifluoro-N-[(3R)-3-(1H-indazol-5-yl)-2-methyl-3-phenylpropyl]ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3R)-3-(1H-indazol-5-yl)-2-methyl-3-phenylpropyl]ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3R)-3-(1H-indazol-5-yl)-2-methyl-3-phenylpropyl]ethanesulfonamide is CC(CNS(=O)(=O)CC(F)(F)F)[C@H](c1ccccc1)c1ccc2[nH]ncc2c1.
What is the InChIKey of 2,2,2-trifluoro-N-[(3R)-3-(1H-indazol-5-yl)-2-methyl-3-phenylpropyl]ethanesulfonamide?
The InChIKey is KLXPJCRCLHMBIU-PQJIZZRHSA-N. The full InChI is InChI=1S/C19H20F3N3O2S/c1-13(10-24-28(26,27)12-19(20,21)22)18(14-5-3-2-4-6-14)15-7-8-17-16(9-15)11-23-25-17/h2-9,11,13,18,24H,10,12H2,1H3,(H,23,25)/t13?,18-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(3R)-3-(1H-indazol-5-yl)-2-methyl-3-phenylpropyl]ethanesulfonamide?
2,2,2-trifluoro-N-[(3R)-3-(1H-indazol-5-yl)-2-methyl-3-phenylpropyl]ethanesulfonamide has a molecular weight of 411.45 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3R)-3-(1H-indazol-5-yl)-2-methyl-3-phenylpropyl]ethanesulfonamide is sourced from PubChem (CID 67963391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).