N-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-(trifluoromethyl)benzenesulfonamide

C20H20F3N3O2S — CID 46227395

IUPACN-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H20F3N3O2S/c21-20(22,23)14-3-6-17(7-4-14)29(27,28)26-16-5-8-19-18(11-16)13(12-25-19)10-15-2-1-9-24-15/h3-8,11-12,15,24-26H,1-2,9-10H2/t15-/m1/s1
InChIKeyPFLIRHXUMIYWRK-OAHLLOKOSA-N
MW423.46 g/mol
LogP4.28
Rot. Bonds5

About N-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-(trifluoromethyl)benzenesulfonamide

N-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 46227395) has the molecular formula C20H20F3N3O2S and a molecular weight of 423.46 g/mol. Its IUPAC name is N-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID46227395
Molecular FormulaC20H20F3N3O2S
Molecular Weight423.46 g/mol
Exact Mass423.12
IUPAC NameN-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H20F3N3O2S/c21-20(22,23)14-3-6-17(7-4-14)29(27,28)26-16-5-8-19-18(11-16)13(12-25-19)10-15-2-1-9-24-15/h3-8,11-12,15,24-26H,1-2,9-10H2/t15-/m1/s1
InChIKeyPFLIRHXUMIYWRK-OAHLLOKOSA-N
XLogP4.28
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-(trifluoromethyl)benzenesulfonamide 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-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-(trifluoromethyl)benzenesulfonamide (CID 46227395) is N-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PFLIRHXUMIYWRK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20F3N3O2S/c21-20(22,23)14-3-6-17(7-4-14)29(27,28)26-16-5-8-19-18(11-16)13(12-25-19)10-15-2-1-9-24-15/h3-8,11-12,15,24-26H,1-2,9-10H2/t15-/m1/s1.
What are the key properties of N-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-(trifluoromethyl)benzenesulfonamide?
N-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 423.46 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 46227395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).