3-(benzenesulfonyl)-1-piperidin-4-ylindazole

C18H19N3O2S — CID 10088706

IUPAC3-(benzenesulfonyl)-1-piperidin-4-ylindazole
SMILESO=S(=O)(c1ccccc1)c1nn(C2CCNCC2)c2ccccc12
InChIInChI=1S/C18H19N3O2S/c22-24(23,15-6-2-1-3-7-15)18-16-8-4-5-9-17(16)21(20-18)14-10-12-19-13-11-14/h1-9,14,19H,10-13H2
InChIKeyFVYYYTZGHGETHS-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.79
Rot. Bonds3

About 3-(benzenesulfonyl)-1-piperidin-4-ylindazole

3-(benzenesulfonyl)-1-piperidin-4-ylindazole (PubChem CID 10088706) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-piperidin-4-ylindazole.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-piperidin-4-ylindazole
PubChem CID10088706
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name3-(benzenesulfonyl)-1-piperidin-4-ylindazole
SMILESO=S(=O)(c1ccccc1)c1nn(C2CCNCC2)c2ccccc12
InChIInChI=1S/C18H19N3O2S/c22-24(23,15-6-2-1-3-7-15)18-16-8-4-5-9-17(16)21(20-18)14-10-12-19-13-11-14/h1-9,14,19H,10-13H2
InChIKeyFVYYYTZGHGETHS-UHFFFAOYSA-N
XLogP2.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-piperidin-4-ylindazole?
The IUPAC name of 3-(benzenesulfonyl)-1-piperidin-4-ylindazole (CID 10088706) is 3-(benzenesulfonyl)-1-piperidin-4-ylindazole.
What is the SMILES notation for 3-(benzenesulfonyl)-1-piperidin-4-ylindazole?
The canonical SMILES for 3-(benzenesulfonyl)-1-piperidin-4-ylindazole is O=S(=O)(c1ccccc1)c1nn(C2CCNCC2)c2ccccc12.
What is the InChIKey of 3-(benzenesulfonyl)-1-piperidin-4-ylindazole?
The InChIKey is FVYYYTZGHGETHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-24(23,15-6-2-1-3-7-15)18-16-8-4-5-9-17(16)21(20-18)14-10-12-19-13-11-14/h1-9,14,19H,10-13H2.
What are the key properties of 3-(benzenesulfonyl)-1-piperidin-4-ylindazole?
3-(benzenesulfonyl)-1-piperidin-4-ylindazole has a molecular weight of 341.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-piperidin-4-ylindazole is sourced from PubChem (CID 10088706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).