3-(1-methylpiperidin-4-yl)-5-naphthalen-2-ylsulfonyl-2H-indazole

C23H23N3O2S — CID 24763349

IUPAC3-(1-methylpiperidin-4-yl)-5-naphthalen-2-ylsulfonyl-2H-indazole
SMILESCN1CCC(c2[nH]nc3ccc(S(=O)(=O)c4ccc5ccccc5c4)cc23)CC1
InChIInChI=1S/C23H23N3O2S/c1-26-12-10-17(11-13-26)23-21-15-20(8-9-22(21)24-25-23)29(27,28)19-7-6-16-4-2-3-5-18(16)14-19/h2-9,14-15,17H,10-13H2,1H3,(H,24,25)
InChIKeyBJLXTIRVHASGOE-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.36
Rot. Bonds3

About 3-(1-methylpiperidin-4-yl)-5-naphthalen-2-ylsulfonyl-2H-indazole

3-(1-methylpiperidin-4-yl)-5-naphthalen-2-ylsulfonyl-2H-indazole (PubChem CID 24763349) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-5-naphthalen-2-ylsulfonyl-2H-indazole.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-5-naphthalen-2-ylsulfonyl-2H-indazole
PubChem CID24763349
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name3-(1-methylpiperidin-4-yl)-5-naphthalen-2-ylsulfonyl-2H-indazole
SMILESCN1CCC(c2[nH]nc3ccc(S(=O)(=O)c4ccc5ccccc5c4)cc23)CC1
InChIInChI=1S/C23H23N3O2S/c1-26-12-10-17(11-13-26)23-21-15-20(8-9-22(21)24-25-23)29(27,28)19-7-6-16-4-2-3-5-18(16)14-19/h2-9,14-15,17H,10-13H2,1H3,(H,24,25)
InChIKeyBJLXTIRVHASGOE-UHFFFAOYSA-N
XLogP4.36
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-methylpiperidin-4-yl)-5-naphthalen-2-ylsulfonyl-2H-indazole 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 3-(1-methylpiperidin-4-yl)-5-naphthalen-2-ylsulfonyl-2H-indazole?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-5-naphthalen-2-ylsulfonyl-2H-indazole (CID 24763349) is 3-(1-methylpiperidin-4-yl)-5-naphthalen-2-ylsulfonyl-2H-indazole.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-5-naphthalen-2-ylsulfonyl-2H-indazole?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-5-naphthalen-2-ylsulfonyl-2H-indazole is CN1CCC(c2[nH]nc3ccc(S(=O)(=O)c4ccc5ccccc5c4)cc23)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-5-naphthalen-2-ylsulfonyl-2H-indazole?
The InChIKey is BJLXTIRVHASGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-26-12-10-17(11-13-26)23-21-15-20(8-9-22(21)24-25-23)29(27,28)19-7-6-16-4-2-3-5-18(16)14-19/h2-9,14-15,17H,10-13H2,1H3,(H,24,25).
What are the key properties of 3-(1-methylpiperidin-4-yl)-5-naphthalen-2-ylsulfonyl-2H-indazole?
3-(1-methylpiperidin-4-yl)-5-naphthalen-2-ylsulfonyl-2H-indazole has a molecular weight of 405.52 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-5-naphthalen-2-ylsulfonyl-2H-indazole is sourced from PubChem (CID 24763349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).