5-(3-methylphenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole

C20H23N3O2S — CID 24763354

IUPAC5-(3-methylphenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole
SMILESCc1cccc(S(=O)(=O)c2ccc3n[nH]c(C4CCN(C)CC4)c3c2)c1
InChIInChI=1S/C20H23N3O2S/c1-14-4-3-5-16(12-14)26(24,25)17-6-7-19-18(13-17)20(22-21-19)15-8-10-23(2)11-9-15/h3-7,12-13,15H,8-11H2,1-2H3,(H,21,22)
InChIKeyCUOBXOYPSPRZOA-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.51
Rot. Bonds3

About 5-(3-methylphenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole

5-(3-methylphenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole (PubChem CID 24763354) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 5-(3-methylphenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole.

Molecular Properties

Compound Name5-(3-methylphenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole
PubChem CID24763354
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name5-(3-methylphenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole
SMILESCc1cccc(S(=O)(=O)c2ccc3n[nH]c(C4CCN(C)CC4)c3c2)c1
InChIInChI=1S/C20H23N3O2S/c1-14-4-3-5-16(12-14)26(24,25)17-6-7-19-18(13-17)20(22-21-19)15-8-10-23(2)11-9-15/h3-7,12-13,15H,8-11H2,1-2H3,(H,21,22)
InChIKeyCUOBXOYPSPRZOA-UHFFFAOYSA-N
XLogP3.51
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole?
The IUPAC name of 5-(3-methylphenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole (CID 24763354) is 5-(3-methylphenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole.
What is the SMILES notation for 5-(3-methylphenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole?
The canonical SMILES for 5-(3-methylphenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole is Cc1cccc(S(=O)(=O)c2ccc3n[nH]c(C4CCN(C)CC4)c3c2)c1.
What is the InChIKey of 5-(3-methylphenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole?
The InChIKey is CUOBXOYPSPRZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-14-4-3-5-16(12-14)26(24,25)17-6-7-19-18(13-17)20(22-21-19)15-8-10-23(2)11-9-15/h3-7,12-13,15H,8-11H2,1-2H3,(H,21,22).
What are the key properties of 5-(3-methylphenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole?
5-(3-methylphenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole has a molecular weight of 369.49 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole is sourced from PubChem (CID 24763354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).