3-(benzenesulfonyl)-7-piperidin-1-yl-2H-indazole

C18H19N3O2S — CID 24752182

IUPAC3-(benzenesulfonyl)-7-piperidin-1-yl-2H-indazole
SMILESO=S(=O)(c1ccccc1)c1[nH]nc2c(N3CCCCC3)cccc12
InChIInChI=1S/C18H19N3O2S/c22-24(23,14-8-3-1-4-9-14)18-15-10-7-11-16(17(15)19-20-18)21-12-5-2-6-13-21/h1,3-4,7-11H,2,5-6,12-13H2,(H,19,20)
InChIKeyWZHVMNPYOBKWQD-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.39
Rot. Bonds3

About 3-(benzenesulfonyl)-7-piperidin-1-yl-2H-indazole

3-(benzenesulfonyl)-7-piperidin-1-yl-2H-indazole (PubChem CID 24752182) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-7-piperidin-1-yl-2H-indazole.

Molecular Properties

Compound Name3-(benzenesulfonyl)-7-piperidin-1-yl-2H-indazole
PubChem CID24752182
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name3-(benzenesulfonyl)-7-piperidin-1-yl-2H-indazole
SMILESO=S(=O)(c1ccccc1)c1[nH]nc2c(N3CCCCC3)cccc12
InChIInChI=1S/C18H19N3O2S/c22-24(23,14-8-3-1-4-9-14)18-15-10-7-11-16(17(15)19-20-18)21-12-5-2-6-13-21/h1,3-4,7-11H,2,5-6,12-13H2,(H,19,20)
InChIKeyWZHVMNPYOBKWQD-UHFFFAOYSA-N
XLogP3.39
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-2H-indazole
CID 22250312
2-[3-(benzenesulfonyl)-2H-indazol-7-yl]ethanamine;hydrochloride
CID 68681490
3-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2H-indazole
CID 10383646
3-(benzenesulfonyl)-4-chloro-5-piperazin-1-yl-2H-indazole
CID 11740294
3-(3-fluorophenyl)sulfonyl-7-piperazin-1-yl-2H-pyrazolo[3,4-c]pyridine
CID 10383961
N-[4-(benzenesulfonyl)phenyl]-2-piperidin-1-ylaniline
CID 141192151
3-(benzenesulfonyl)-8-piperazin-1-ylquinoline
CID 11256720
1-[2-(benzenesulfonyl)phenyl]piperazine
CID 11849201
3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine
CID 53033983
7-(benzenesulfonyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 175304923
3-(benzenesulfonyl)-1-methyl-7-piperazin-1-ylindole;hydrochloride
CID 69351464
4,5,15,16-tetrakis(benzenesulfonyl)-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene
CID 58835712

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-7-piperidin-1-yl-2H-indazole?
The IUPAC name of 3-(benzenesulfonyl)-7-piperidin-1-yl-2H-indazole (CID 24752182) is 3-(benzenesulfonyl)-7-piperidin-1-yl-2H-indazole.
What is the SMILES notation for 3-(benzenesulfonyl)-7-piperidin-1-yl-2H-indazole?
The canonical SMILES for 3-(benzenesulfonyl)-7-piperidin-1-yl-2H-indazole is O=S(=O)(c1ccccc1)c1[nH]nc2c(N3CCCCC3)cccc12.
What is the InChIKey of 3-(benzenesulfonyl)-7-piperidin-1-yl-2H-indazole?
The InChIKey is WZHVMNPYOBKWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-24(23,14-8-3-1-4-9-14)18-15-10-7-11-16(17(15)19-20-18)21-12-5-2-6-13-21/h1,3-4,7-11H,2,5-6,12-13H2,(H,19,20).
What are the key properties of 3-(benzenesulfonyl)-7-piperidin-1-yl-2H-indazole?
3-(benzenesulfonyl)-7-piperidin-1-yl-2H-indazole has a molecular weight of 341.44 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-7-piperidin-1-yl-2H-indazole is sourced from PubChem (CID 24752182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).