1-(4-fluorophenyl)sulfonyl-4-(2-piperidin-1-ylethoxy)indazole

C20H22FN3O3S — CID 10222823

IUPAC1-(4-fluorophenyl)sulfonyl-4-(2-piperidin-1-ylethoxy)indazole
SMILESO=S(=O)(c1ccc(F)cc1)n1ncc2c(OCCN3CCCCC3)cccc21
InChIInChI=1S/C20H22FN3O3S/c21-16-7-9-17(10-8-16)28(25,26)24-19-5-4-6-20(18(19)15-22-24)27-14-13-23-11-2-1-3-12-23/h4-10,15H,1-3,11-14H2
InChIKeyZWEZNTIMCIMERZ-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.28
Rot. Bonds6

About 1-(4-fluorophenyl)sulfonyl-4-(2-piperidin-1-ylethoxy)indazole

1-(4-fluorophenyl)sulfonyl-4-(2-piperidin-1-ylethoxy)indazole (PubChem CID 10222823) has the molecular formula C20H22FN3O3S and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-(2-piperidin-1-ylethoxy)indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-(2-piperidin-1-ylethoxy)indazole
PubChem CID10222823
Molecular FormulaC20H22FN3O3S
Molecular Weight403.48 g/mol
Exact Mass403.14
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-(2-piperidin-1-ylethoxy)indazole
SMILESO=S(=O)(c1ccc(F)cc1)n1ncc2c(OCCN3CCCCC3)cccc21
InChIInChI=1S/C20H22FN3O3S/c21-16-7-9-17(10-8-16)28(25,26)24-19-5-4-6-20(18(19)15-22-24)27-14-13-23-11-2-1-3-12-23/h4-10,15H,1-3,11-14H2
InChIKeyZWEZNTIMCIMERZ-UHFFFAOYSA-N
XLogP3.28
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(2-piperidin-1-ylethoxy)indazole?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(2-piperidin-1-ylethoxy)indazole (CID 10222823) is 1-(4-fluorophenyl)sulfonyl-4-(2-piperidin-1-ylethoxy)indazole.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-(2-piperidin-1-ylethoxy)indazole?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-(2-piperidin-1-ylethoxy)indazole is O=S(=O)(c1ccc(F)cc1)n1ncc2c(OCCN3CCCCC3)cccc21.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-(2-piperidin-1-ylethoxy)indazole?
The InChIKey is ZWEZNTIMCIMERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3S/c21-16-7-9-17(10-8-16)28(25,26)24-19-5-4-6-20(18(19)15-22-24)27-14-13-23-11-2-1-3-12-23/h4-10,15H,1-3,11-14H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-(2-piperidin-1-ylethoxy)indazole?
1-(4-fluorophenyl)sulfonyl-4-(2-piperidin-1-ylethoxy)indazole has a molecular weight of 403.48 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-(2-piperidin-1-ylethoxy)indazole is sourced from PubChem (CID 10222823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).