N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide

C24H26N4O3S — CID 162705210

IUPACN-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide
SMILESCCc1ccc(-n2cc(-c3ccc4[nH]cc(NS(=O)(=O)CC5CCCO5)c4c3)cn2)cc1
InChIInChI=1S/C24H26N4O3S/c1-2-17-5-8-20(9-6-17)28-15-19(13-26-28)18-7-10-23-22(12-18)24(14-25-23)27-32(29,30)16-21-4-3-11-31-21/h5-10,12-15,21,25,27H,2-4,11,16H2,1H3
InChIKeyXYKNNRITIWQLQR-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.50
Rot. Bonds7

About N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide

N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 162705210) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide
PubChem CID162705210
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide
SMILESCCc1ccc(-n2cc(-c3ccc4[nH]cc(NS(=O)(=O)CC5CCCO5)c4c3)cn2)cc1
InChIInChI=1S/C24H26N4O3S/c1-2-17-5-8-20(9-6-17)28-15-19(13-26-28)18-7-10-23-22(12-18)24(14-25-23)27-32(29,30)16-21-4-3-11-31-21/h5-10,12-15,21,25,27H,2-4,11,16H2,1H3
InChIKeyXYKNNRITIWQLQR-UHFFFAOYSA-N
XLogP4.50
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)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-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide (CID 162705210) is N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide is CCc1ccc(-n2cc(-c3ccc4[nH]cc(NS(=O)(=O)CC5CCCO5)c4c3)cn2)cc1.
What is the InChIKey of N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is XYKNNRITIWQLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-2-17-5-8-20(9-6-17)28-15-19(13-26-28)18-7-10-23-22(12-18)24(14-25-23)27-32(29,30)16-21-4-3-11-31-21/h5-10,12-15,21,25,27H,2-4,11,16H2,1H3.
What are the key properties of N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide?
N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 450.56 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 162705210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).