N-[1-(4-fluorophenyl)-3-[[methyl(pentan-2-yl)amino]methyl]indol-5-yl]propane-1-sulfonamide

C24H32FN3O2S — CID 171985187

IUPACN-[1-(4-fluorophenyl)-3-[[methyl(pentan-2-yl)amino]methyl]indol-5-yl]propane-1-sulfonamide
SMILESCCCC(C)N(C)Cc1cn(-c2ccc(F)cc2)c2ccc(NS(=O)(=O)CCC)cc12
InChIInChI=1S/C24H32FN3O2S/c1-5-7-18(3)27(4)16-19-17-28(22-11-8-20(25)9-12-22)24-13-10-21(15-23(19)24)26-31(29,30)14-6-2/h8-13,15,17-18,26H,5-7,14,16H2,1-4H3
InChIKeyAYYNSYVZSHQOQJ-UHFFFAOYSA-N
MW445.60 g/mol
LogP5.54
Rot. Bonds10

About N-[1-(4-fluorophenyl)-3-[[methyl(pentan-2-yl)amino]methyl]indol-5-yl]propane-1-sulfonamide

N-[1-(4-fluorophenyl)-3-[[methyl(pentan-2-yl)amino]methyl]indol-5-yl]propane-1-sulfonamide (PubChem CID 171985187) has the molecular formula C24H32FN3O2S and a molecular weight of 445.60 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3-[[methyl(pentan-2-yl)amino]methyl]indol-5-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3-[[methyl(pentan-2-yl)amino]methyl]indol-5-yl]propane-1-sulfonamide
PubChem CID171985187
Molecular FormulaC24H32FN3O2S
Molecular Weight445.60 g/mol
Exact Mass445.22
IUPAC NameN-[1-(4-fluorophenyl)-3-[[methyl(pentan-2-yl)amino]methyl]indol-5-yl]propane-1-sulfonamide
SMILESCCCC(C)N(C)Cc1cn(-c2ccc(F)cc2)c2ccc(NS(=O)(=O)CCC)cc12
InChIInChI=1S/C24H32FN3O2S/c1-5-7-18(3)27(4)16-19-17-28(22-11-8-20(25)9-12-22)24-13-10-21(15-23(19)24)26-31(29,30)14-6-2/h8-13,15,17-18,26H,5-7,14,16H2,1-4H3
InChIKeyAYYNSYVZSHQOQJ-UHFFFAOYSA-N
XLogP5.54
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.60
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-fluorophenyl)-3-[[methyl(pentan-2-yl)amino]methyl]indol-5-yl]propane-1-sulfonamide 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-[1-(4-fluorophenyl)-3-[[methyl(pentan-2-yl)amino]methyl]indol-5-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)-3-[[methyl(pentan-2-yl)amino]methyl]indol-5-yl]propane-1-sulfonamide (CID 171985187) is N-[1-(4-fluorophenyl)-3-[[methyl(pentan-2-yl)amino]methyl]indol-5-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3-[[methyl(pentan-2-yl)amino]methyl]indol-5-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-3-[[methyl(pentan-2-yl)amino]methyl]indol-5-yl]propane-1-sulfonamide is CCCC(C)N(C)Cc1cn(-c2ccc(F)cc2)c2ccc(NS(=O)(=O)CCC)cc12.
What is the InChIKey of N-[1-(4-fluorophenyl)-3-[[methyl(pentan-2-yl)amino]methyl]indol-5-yl]propane-1-sulfonamide?
The InChIKey is AYYNSYVZSHQOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O2S/c1-5-7-18(3)27(4)16-19-17-28(22-11-8-20(25)9-12-22)24-13-10-21(15-23(19)24)26-31(29,30)14-6-2/h8-13,15,17-18,26H,5-7,14,16H2,1-4H3.
What are the key properties of N-[1-(4-fluorophenyl)-3-[[methyl(pentan-2-yl)amino]methyl]indol-5-yl]propane-1-sulfonamide?
N-[1-(4-fluorophenyl)-3-[[methyl(pentan-2-yl)amino]methyl]indol-5-yl]propane-1-sulfonamide has a molecular weight of 445.60 g/mol, XLogP of 5.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3-[[methyl(pentan-2-yl)amino]methyl]indol-5-yl]propane-1-sulfonamide is sourced from PubChem (CID 171985187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).