N-(5-chloro-2-piperidin-1-ylphenyl)-2-(4-fluorophenyl)sulfonylpropanamide

C20H22ClFN2O3S — CID 55814308

IUPACN-(5-chloro-2-piperidin-1-ylphenyl)-2-(4-fluorophenyl)sulfonylpropanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1N1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H22ClFN2O3S/c1-14(28(26,27)17-8-6-16(22)7-9-17)20(25)23-18-13-15(21)5-10-19(18)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3,(H,23,25)
InChIKeyJETISNHOZQWXRD-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.27
Rot. Bonds5

About N-(5-chloro-2-piperidin-1-ylphenyl)-2-(4-fluorophenyl)sulfonylpropanamide

N-(5-chloro-2-piperidin-1-ylphenyl)-2-(4-fluorophenyl)sulfonylpropanamide (PubChem CID 55814308) has the molecular formula C20H22ClFN2O3S and a molecular weight of 424.93 g/mol. Its IUPAC name is N-(5-chloro-2-piperidin-1-ylphenyl)-2-(4-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-piperidin-1-ylphenyl)-2-(4-fluorophenyl)sulfonylpropanamide
PubChem CID55814308
Molecular FormulaC20H22ClFN2O3S
Molecular Weight424.93 g/mol
Exact Mass424.10
IUPAC NameN-(5-chloro-2-piperidin-1-ylphenyl)-2-(4-fluorophenyl)sulfonylpropanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1N1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H22ClFN2O3S/c1-14(28(26,27)17-8-6-16(22)7-9-17)20(25)23-18-13-15(21)5-10-19(18)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3,(H,23,25)
InChIKeyJETISNHOZQWXRD-UHFFFAOYSA-N
XLogP4.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-2-(4-fluorophenyl)sulfonylpropanamide?
The IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-2-(4-fluorophenyl)sulfonylpropanamide (CID 55814308) is N-(5-chloro-2-piperidin-1-ylphenyl)-2-(4-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-(5-chloro-2-piperidin-1-ylphenyl)-2-(4-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for N-(5-chloro-2-piperidin-1-ylphenyl)-2-(4-fluorophenyl)sulfonylpropanamide is CC(C(=O)Nc1cc(Cl)ccc1N1CCCCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(5-chloro-2-piperidin-1-ylphenyl)-2-(4-fluorophenyl)sulfonylpropanamide?
The InChIKey is JETISNHOZQWXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3S/c1-14(28(26,27)17-8-6-16(22)7-9-17)20(25)23-18-13-15(21)5-10-19(18)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3,(H,23,25).
What are the key properties of N-(5-chloro-2-piperidin-1-ylphenyl)-2-(4-fluorophenyl)sulfonylpropanamide?
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(4-fluorophenyl)sulfonylpropanamide has a molecular weight of 424.93 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-piperidin-1-ylphenyl)-2-(4-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 55814308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).