3-(4-fluorophenyl)sulfonyl-1-piperidin-3-ylindazole

C18H18FN3O2S — CID 10451083

IUPAC3-(4-fluorophenyl)sulfonyl-1-piperidin-3-ylindazole
SMILESO=S(=O)(c1ccc(F)cc1)c1nn(C2CCCNC2)c2ccccc12
InChIInChI=1S/C18H18FN3O2S/c19-13-7-9-15(10-8-13)25(23,24)18-16-5-1-2-6-17(16)22(21-18)14-4-3-11-20-12-14/h1-2,5-10,14,20H,3-4,11-12H2
InChIKeyDJUDJHVSWGIZAN-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.93
Rot. Bonds3

About 3-(4-fluorophenyl)sulfonyl-1-piperidin-3-ylindazole

3-(4-fluorophenyl)sulfonyl-1-piperidin-3-ylindazole (PubChem CID 10451083) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-1-piperidin-3-ylindazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-1-piperidin-3-ylindazole
PubChem CID10451083
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name3-(4-fluorophenyl)sulfonyl-1-piperidin-3-ylindazole
SMILESO=S(=O)(c1ccc(F)cc1)c1nn(C2CCCNC2)c2ccccc12
InChIInChI=1S/C18H18FN3O2S/c19-13-7-9-15(10-8-13)25(23,24)18-16-5-1-2-6-17(16)22(21-18)14-4-3-11-20-12-14/h1-2,5-10,14,20H,3-4,11-12H2
InChIKeyDJUDJHVSWGIZAN-UHFFFAOYSA-N
XLogP2.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-1-piperidin-3-ylindazole?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-1-piperidin-3-ylindazole (CID 10451083) is 3-(4-fluorophenyl)sulfonyl-1-piperidin-3-ylindazole.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-1-piperidin-3-ylindazole?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-1-piperidin-3-ylindazole is O=S(=O)(c1ccc(F)cc1)c1nn(C2CCCNC2)c2ccccc12.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-1-piperidin-3-ylindazole?
The InChIKey is DJUDJHVSWGIZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c19-13-7-9-15(10-8-13)25(23,24)18-16-5-1-2-6-17(16)22(21-18)14-4-3-11-20-12-14/h1-2,5-10,14,20H,3-4,11-12H2.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-1-piperidin-3-ylindazole?
3-(4-fluorophenyl)sulfonyl-1-piperidin-3-ylindazole has a molecular weight of 359.43 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-1-piperidin-3-ylindazole is sourced from PubChem (CID 10451083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).