2-[5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethanesulfonamide

C16H20N4O3S — CID 66858957

IUPAC2-[5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethanesulfonamide
SMILESCOc1ccc2ccn(-c3c(CCS(N)(=O)=O)c(C)nn3C)c2c1
InChIInChI=1S/C16H20N4O3S/c1-11-14(7-9-24(17,21)22)16(19(2)18-11)20-8-6-12-4-5-13(23-3)10-15(12)20/h4-6,8,10H,7,9H2,1-3H3,(H2,17,21,22)
InChIKeyHIZMDKGAAVIHTH-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.51
Rot. Bonds5

About 2-[5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethanesulfonamide

2-[5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethanesulfonamide (PubChem CID 66858957) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethanesulfonamide
PubChem CID66858957
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name2-[5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethanesulfonamide
SMILESCOc1ccc2ccn(-c3c(CCS(N)(=O)=O)c(C)nn3C)c2c1
InChIInChI=1S/C16H20N4O3S/c1-11-14(7-9-24(17,21)22)16(19(2)18-11)20-8-6-12-4-5-13(23-3)10-15(12)20/h4-6,8,10H,7,9H2,1-3H3,(H2,17,21,22)
InChIKeyHIZMDKGAAVIHTH-UHFFFAOYSA-N
XLogP1.51
TPSA92.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]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-[5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethanesulfonamide?
The IUPAC name of 2-[5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethanesulfonamide (CID 66858957) is 2-[5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethanesulfonamide.
What is the SMILES notation for 2-[5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethanesulfonamide?
The canonical SMILES for 2-[5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethanesulfonamide is COc1ccc2ccn(-c3c(CCS(N)(=O)=O)c(C)nn3C)c2c1.
What is the InChIKey of 2-[5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethanesulfonamide?
The InChIKey is HIZMDKGAAVIHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-11-14(7-9-24(17,21)22)16(19(2)18-11)20-8-6-12-4-5-13(23-3)10-15(12)20/h4-6,8,10H,7,9H2,1-3H3,(H2,17,21,22).
What are the key properties of 2-[5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethanesulfonamide?
2-[5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethanesulfonamide has a molecular weight of 348.43 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethanesulfonamide is sourced from PubChem (CID 66858957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).