1-(2-fluorophenyl)sulfonyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C22H20F4N4O3S — CID 39189042

IUPAC1-(2-fluorophenyl)sulfonyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C22H20F4N4O3S/c23-18-4-1-2-5-20(18)34(32,33)29-12-8-15(9-13-29)21(31)28-19-7-6-16(30-11-3-10-27-30)14-17(19)22(24,25)26/h1-7,10-11,14-15H,8-9,12-13H2,(H,28,31)
InChIKeyRMYQQPQYMQYKQS-UHFFFAOYSA-N
MW496.49 g/mol
LogP4.07
Rot. Bonds5

About 1-(2-fluorophenyl)sulfonyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-(2-fluorophenyl)sulfonyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 39189042) has the molecular formula C22H20F4N4O3S and a molecular weight of 496.49 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID39189042
Molecular FormulaC22H20F4N4O3S
Molecular Weight496.49 g/mol
Exact Mass496.12
IUPAC Name1-(2-fluorophenyl)sulfonyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C22H20F4N4O3S/c23-18-4-1-2-5-20(18)34(32,33)29-12-8-15(9-13-29)21(31)28-19-7-6-16(30-11-3-10-27-30)14-17(19)22(24,25)26/h1-7,10-11,14-15H,8-9,12-13H2,(H,28,31)
InChIKeyRMYQQPQYMQYKQS-UHFFFAOYSA-N
XLogP4.07
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26692819
1-(2-fluorophenyl)sulfonyl-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 26688330
N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119422130
N-(2-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 46665454
N-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 24635780
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 55765789
methyl 2-[4-[(2-fluorophenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 8780417
N-(2-ethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26208452
N-(3-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24638911
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide
CID 24640994
1-(2,5-difluorophenyl)sulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide
CID 55643007

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 39189042) is 1-(2-fluorophenyl)sulfonyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is RMYQQPQYMQYKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4O3S/c23-18-4-1-2-5-20(18)34(32,33)29-12-8-15(9-13-29)21(31)28-19-7-6-16(30-11-3-10-27-30)14-17(19)22(24,25)26/h1-7,10-11,14-15H,8-9,12-13H2,(H,28,31).
What are the key properties of 1-(2-fluorophenyl)sulfonyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-(2-fluorophenyl)sulfonyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 496.49 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 39189042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).