N-(3-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

C20H21FN2O4S — CID 2964491

IUPACN-(3-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H21FN2O4S/c1-14(24)15-4-2-6-18(12-15)22-20(25)16-5-3-11-23(13-16)28(26,27)19-9-7-17(21)8-10-19/h2,4,6-10,12,16H,3,5,11,13H2,1H3,(H,22,25)
InChIKeyAGPRQCZNWVIJFR-UHFFFAOYSA-N
MW404.46 g/mol
LogP3.07
Rot. Bonds5

About N-(3-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

N-(3-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 2964491) has the molecular formula C20H21FN2O4S and a molecular weight of 404.46 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID2964491
Molecular FormulaC20H21FN2O4S
Molecular Weight404.46 g/mol
Exact Mass404.12
IUPAC NameN-(3-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H21FN2O4S/c1-14(24)15-4-2-6-18(12-15)22-20(25)16-5-3-11-23(13-16)28(26,27)19-9-7-17(21)8-10-19/h2,4,6-10,12,16H,3,5,11,13H2,1H3,(H,22,25)
InChIKeyAGPRQCZNWVIJFR-UHFFFAOYSA-N
XLogP3.07
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (CID 2964491) is N-(3-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is CC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is AGPRQCZNWVIJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4S/c1-14(24)15-4-2-6-18(12-15)22-20(25)16-5-3-11-23(13-16)28(26,27)19-9-7-17(21)8-10-19/h2,4,6-10,12,16H,3,5,11,13H2,1H3,(H,22,25).
What are the key properties of N-(3-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
N-(3-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 404.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 2964491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).