N-(4-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

C21H20FN3O3S — CID 5308502

IUPACN-(4-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C21H20FN3O3S/c22-17-8-10-18(11-9-17)24-21(26)16-6-3-13-25(14-16)29(27,28)19-7-1-4-15-5-2-12-23-20(15)19/h1-2,4-5,7-12,16H,3,6,13-14H2,(H,24,26)
InChIKeyYMYTWVSLKXKHAA-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.41
Rot. Bonds4

About N-(4-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

N-(4-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (PubChem CID 5308502) has the molecular formula C21H20FN3O3S and a molecular weight of 413.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
PubChem CID5308502
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC NameN-(4-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C21H20FN3O3S/c22-17-8-10-18(11-9-17)24-21(26)16-6-3-13-25(14-16)29(27,28)19-7-1-4-15-5-2-12-23-20(15)19/h1-2,4-5,7-12,16H,3,6,13-14H2,(H,24,26)
InChIKeyYMYTWVSLKXKHAA-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-(4-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (CID 5308502) is N-(4-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is O=C(Nc1ccc(F)cc1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1.
What is the InChIKey of N-(4-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is YMYTWVSLKXKHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c22-17-8-10-18(11-9-17)24-21(26)16-6-3-13-25(14-16)29(27,28)19-7-1-4-15-5-2-12-23-20(15)19/h1-2,4-5,7-12,16H,3,6,13-14H2,(H,24,26).
What are the key properties of N-(4-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
N-(4-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-(4-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 5308502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).