N-(4-fluorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide

C21H20FN3O4S — CID 20903561

IUPACN-(4-fluorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1
InChIInChI=1S/C21H20FN3O4S/c22-16-4-6-17(7-5-16)23-21(27)15-2-1-11-25(13-15)30(28,29)18-8-9-19-14(12-18)3-10-20(26)24-19/h3-10,12,15H,1-2,11,13H2,(H,23,27)(H,24,26)
InChIKeyLSUNLZSFYQZKGI-UHFFFAOYSA-N
MW429.47 g/mol
LogP2.71
Rot. Bonds4

About N-(4-fluorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide

N-(4-fluorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 20903561) has the molecular formula C21H20FN3O4S and a molecular weight of 429.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
PubChem CID20903561
Molecular FormulaC21H20FN3O4S
Molecular Weight429.47 g/mol
Exact Mass429.12
IUPAC NameN-(4-fluorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1
InChIInChI=1S/C21H20FN3O4S/c22-16-4-6-17(7-5-16)23-21(27)15-2-1-11-25(13-15)30(28,29)18-8-9-19-14(12-18)3-10-20(26)24-19/h3-10,12,15H,1-2,11,13H2,(H,23,27)(H,24,26)
InChIKeyLSUNLZSFYQZKGI-UHFFFAOYSA-N
XLogP2.71
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide (CID 20903561) is N-(4-fluorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide is O=C(Nc1ccc(F)cc1)C1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1.
What is the InChIKey of N-(4-fluorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is LSUNLZSFYQZKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4S/c22-16-4-6-17(7-5-16)23-21(27)15-2-1-11-25(13-15)30(28,29)18-8-9-19-14(12-18)3-10-20(26)24-19/h3-10,12,15H,1-2,11,13H2,(H,23,27)(H,24,26).
What are the key properties of N-(4-fluorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide?
N-(4-fluorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 429.47 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 20903561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).