1-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide

C22H23FN4O6S2 — CID 43975226

IUPAC1-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(Cc2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)o2)cc1
InChIInChI=1S/C22H23FN4O6S2/c1-34(29,30)18-6-2-15(3-7-18)14-20-25-26-22(33-20)24-21(28)16-10-12-27(13-11-16)35(31,32)19-8-4-17(23)5-9-19/h2-9,16H,10-14H2,1H3,(H,24,26,28)
InChIKeyQWXZECSJGFLWDV-UHFFFAOYSA-N
MW522.58 g/mol
LogP2.24
Rot. Bonds7

About 1-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 43975226) has the molecular formula C22H23FN4O6S2 and a molecular weight of 522.58 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
PubChem CID43975226
Molecular FormulaC22H23FN4O6S2
Molecular Weight522.58 g/mol
Exact Mass522.10
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(Cc2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)o2)cc1
InChIInChI=1S/C22H23FN4O6S2/c1-34(29,30)18-6-2-15(3-7-18)14-20-25-26-22(33-20)24-21(28)16-10-12-27(13-11-16)35(31,32)19-8-4-17(23)5-9-19/h2-9,16H,10-14H2,1H3,(H,24,26,28)
InChIKeyQWXZECSJGFLWDV-UHFFFAOYSA-N
XLogP2.24
TPSA139.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.58
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 16917803
1-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43974141
1-(4-methoxyphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43974956
1-(4-chlorophenyl)sulfonyl-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43974410
1-methylsulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43974990
N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylbenzamide
CID 16917609
1-(4-fluorophenyl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 154724997
1-(4-fluorophenyl)sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43977771
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 43973293
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975096
N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327593
1-(4-chlorophenyl)sulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43973618

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 43975226) is 1-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is CS(=O)(=O)c1ccc(Cc2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)o2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is QWXZECSJGFLWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O6S2/c1-34(29,30)18-6-2-15(3-7-18)14-20-25-26-22(33-20)24-21(28)16-10-12-27(13-11-16)35(31,32)19-8-4-17(23)5-9-19/h2-9,16H,10-14H2,1H3,(H,24,26,28).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 522.58 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 43975226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).