N-[2-[4-[[4-[5-fluoro-2-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide

C33H42FN7O3S — CID 162435521

IUPACN-[2-[4-[[4-[5-fluoro-2-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NCCN2CCC(Cn3cc(-c4c(C(=O)N5CCCC5)[nH]c5ccc(F)cc45)nn3)CC2)cc1
InChIInChI=1S/C33H42FN7O3S/c1-23(2)19-24-5-8-27(9-6-24)45(43,44)35-13-18-39-16-11-25(12-17-39)21-41-22-30(37-38-41)31-28-20-26(34)7-10-29(28)36-32(31)33(42)40-14-3-4-15-40/h5-10,20,22-23,25,35-36H,3-4,11-19,21H2,1-2H3
InChIKeyQLVYJVOHLBIJBK-UHFFFAOYSA-N
MW635.81 g/mol
LogP4.69
Rot. Bonds11

About N-[2-[4-[[4-[5-fluoro-2-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide

N-[2-[4-[[4-[5-fluoro-2-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 162435521) has the molecular formula C33H42FN7O3S and a molecular weight of 635.81 g/mol. Its IUPAC name is N-[2-[4-[[4-[5-fluoro-2-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[[4-[5-fluoro-2-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide
PubChem CID162435521
Molecular FormulaC33H42FN7O3S
Molecular Weight635.81 g/mol
Exact Mass635.31
IUPAC NameN-[2-[4-[[4-[5-fluoro-2-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NCCN2CCC(Cn3cc(-c4c(C(=O)N5CCCC5)[nH]c5ccc(F)cc45)nn3)CC2)cc1
InChIInChI=1S/C33H42FN7O3S/c1-23(2)19-24-5-8-27(9-6-24)45(43,44)35-13-18-39-16-11-25(12-17-39)21-41-22-30(37-38-41)31-28-20-26(34)7-10-29(28)36-32(31)33(42)40-14-3-4-15-40/h5-10,20,22-23,25,35-36H,3-4,11-19,21H2,1-2H3
InChIKeyQLVYJVOHLBIJBK-UHFFFAOYSA-N
XLogP4.69
TPSA116.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500635.81
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-[[4-[5-fluoro-2-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)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-[2-[4-[[4-[5-fluoro-2-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[2-[4-[[4-[5-fluoro-2-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide (CID 162435521) is N-[2-[4-[[4-[5-fluoro-2-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[4-[[4-[5-fluoro-2-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[2-[4-[[4-[5-fluoro-2-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)NCCN2CCC(Cn3cc(-c4c(C(=O)N5CCCC5)[nH]c5ccc(F)cc45)nn3)CC2)cc1.
What is the InChIKey of N-[2-[4-[[4-[5-fluoro-2-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is QLVYJVOHLBIJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42FN7O3S/c1-23(2)19-24-5-8-27(9-6-24)45(43,44)35-13-18-39-16-11-25(12-17-39)21-41-22-30(37-38-41)31-28-20-26(34)7-10-29(28)36-32(31)33(42)40-14-3-4-15-40/h5-10,20,22-23,25,35-36H,3-4,11-19,21H2,1-2H3.
What are the key properties of N-[2-[4-[[4-[5-fluoro-2-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide?
N-[2-[4-[[4-[5-fluoro-2-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 635.81 g/mol, XLogP of 4.69, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[4-[5-fluoro-2-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 162435521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).