1-(2,5-difluorophenyl)sulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide

C22H22F2N4O3S — CID 55643007

IUPAC1-(2,5-difluorophenyl)sulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1Cn1cccn1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C22H22F2N4O3S/c23-18-6-7-19(24)21(14-18)32(30,31)28-12-8-16(9-13-28)22(29)26-20-5-2-1-4-17(20)15-27-11-3-10-25-27/h1-7,10-11,14,16H,8-9,12-13,15H2,(H,26,29)
InChIKeyIJJVTLXMEIVAFC-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.25
Rot. Bonds6

About 1-(2,5-difluorophenyl)sulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide

1-(2,5-difluorophenyl)sulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide (PubChem CID 55643007) has the molecular formula C22H22F2N4O3S and a molecular weight of 460.51 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide
PubChem CID55643007
Molecular FormulaC22H22F2N4O3S
Molecular Weight460.51 g/mol
Exact Mass460.14
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1Cn1cccn1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C22H22F2N4O3S/c23-18-6-7-19(24)21(14-18)32(30,31)28-12-8-16(9-13-28)22(29)26-20-5-2-1-4-17(20)15-27-11-3-10-25-27/h1-7,10-11,14,16H,8-9,12-13,15H2,(H,26,29)
InChIKeyIJJVTLXMEIVAFC-UHFFFAOYSA-N
XLogP3.25
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-difluorophenyl)sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 46536758
N-[2-(2-cyanoethylsulfanyl)phenyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 75467301
1-(2,5-difluorophenyl)sulfonyl-N-(2,2-diphenylethyl)piperidine-4-carboxamide
CID 27770594
N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26692819
1-(2,5-difluorophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide
CID 25410031
1-(2,5-difluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27676149
N-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 46823369
4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 46427584
1-(5-chloro-2-methoxybenzoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide
CID 55674310
1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide
CID 55601726
1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide
CID 55521485
1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 55583452

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide (CID 55643007) is 1-(2,5-difluorophenyl)sulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccccc1Cn1cccn1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is IJJVTLXMEIVAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O3S/c23-18-6-7-19(24)21(14-18)32(30,31)28-12-8-16(9-13-28)22(29)26-20-5-2-1-4-17(20)15-27-11-3-10-25-27/h1-7,10-11,14,16H,8-9,12-13,15H2,(H,26,29).
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide?
1-(2,5-difluorophenyl)sulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 460.51 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55643007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).