N-(2-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

C21H20FN3O3S — CID 5307620

IUPACN-(2-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1F)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C21H20FN3O3S/c22-17-9-1-2-10-18(17)24-21(26)16-8-5-13-25(14-16)29(27,28)19-11-3-6-15-7-4-12-23-20(15)19/h1-4,6-7,9-12,16H,5,8,13-14H2,(H,24,26)
InChIKeyNQBLZLARRROOLA-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.41
Rot. Bonds4

About N-(2-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

N-(2-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (PubChem CID 5307620) has the molecular formula C21H20FN3O3S and a molecular weight of 413.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
PubChem CID5307620
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC NameN-(2-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1F)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C21H20FN3O3S/c22-17-9-1-2-10-18(17)24-21(26)16-8-5-13-25(14-16)29(27,28)19-11-3-6-15-7-4-12-23-20(15)19/h1-4,6-7,9-12,16H,5,8,13-14H2,(H,24,26)
InChIKeyNQBLZLARRROOLA-UHFFFAOYSA-N
XLogP3.41
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (CID 5307620) is N-(2-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is O=C(Nc1ccccc1F)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1.
What is the InChIKey of N-(2-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is NQBLZLARRROOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c22-17-9-1-2-10-18(17)24-21(26)16-8-5-13-25(14-16)29(27,28)19-11-3-6-15-7-4-12-23-20(15)19/h1-4,6-7,9-12,16H,5,8,13-14H2,(H,24,26).
What are the key properties of N-(2-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
N-(2-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 5307620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).