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

C20H20ClFN2O4S — CID 39752679

IUPACN-(3-acetylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1
InChIInChI=1S/C20H20ClFN2O4S/c1-13(25)15-3-2-4-16(11-15)23-20(26)14-7-9-24(10-8-14)29(27,28)17-5-6-19(22)18(21)12-17/h2-6,11-12,14H,7-10H2,1H3,(H,23,26)
InChIKeyBPDBXEHIAOTKMB-UHFFFAOYSA-N
MW438.91 g/mol
LogP3.72
Rot. Bonds5

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

N-(3-acetylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 39752679) has the molecular formula C20H20ClFN2O4S and a molecular weight of 438.91 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID39752679
Molecular FormulaC20H20ClFN2O4S
Molecular Weight438.91 g/mol
Exact Mass438.08
IUPAC NameN-(3-acetylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1
InChIInChI=1S/C20H20ClFN2O4S/c1-13(25)15-3-2-4-16(11-15)23-20(26)14-7-9-24(10-8-14)29(27,28)17-5-6-19(22)18(21)12-17/h2-6,11-12,14H,7-10H2,1H3,(H,23,26)
InChIKeyBPDBXEHIAOTKMB-UHFFFAOYSA-N
XLogP3.72
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.91
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylphenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 26695995
N-(3-acetylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 34830036
N-(3-acetylphenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1327585
N-(3-chloro-4-fluorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26695983
1-(3,4-difluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 26914170
1-(4-chlorophenyl)sulfonyl-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 26993774
1-(4-acetylphenyl)sulfonyl-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 26581253
1-(3-chloro-4-fluorophenyl)sulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide
CID 55834748
1-(3-acetylphenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 9299938
1-(3-acetylphenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 8714129
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 1243579
1-(3-chloro-4-fluorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 46529104

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 39752679) is N-(3-acetylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide is CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is BPDBXEHIAOTKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O4S/c1-13(25)15-3-2-4-16(11-15)23-20(26)14-7-9-24(10-8-14)29(27,28)17-5-6-19(22)18(21)12-17/h2-6,11-12,14H,7-10H2,1H3,(H,23,26).
What are the key properties of N-(3-acetylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-(3-acetylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 438.91 g/mol, XLogP of 3.72, 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-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 39752679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).