N-(2-benzylpyrazol-3-yl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide

C22H22F2N4O3S — CID 17496766

IUPACN-(2-benzylpyrazol-3-yl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C22H22F2N4O3S/c23-19-7-6-18(14-20(19)24)32(30,31)27-12-9-17(10-13-27)22(29)26-21-8-11-25-28(21)15-16-4-2-1-3-5-16/h1-8,11,14,17H,9-10,12-13,15H2,(H,26,29)
InChIKeyBSGGXRFCCYGJFR-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.25
Rot. Bonds6

About N-(2-benzylpyrazol-3-yl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide

N-(2-benzylpyrazol-3-yl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 17496766) has the molecular formula C22H22F2N4O3S and a molecular weight of 460.51 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID17496766
Molecular FormulaC22H22F2N4O3S
Molecular Weight460.51 g/mol
Exact Mass460.14
IUPAC NameN-(2-benzylpyrazol-3-yl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C22H22F2N4O3S/c23-19-7-6-18(14-20(19)24)32(30,31)27-12-9-17(10-13-27)22(29)26-21-8-11-25-28(21)15-16-4-2-1-3-5-16/h1-8,11,14,17H,9-10,12-13,15H2,(H,26,29)
InChIKeyBSGGXRFCCYGJFR-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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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide (CID 17496766) is N-(2-benzylpyrazol-3-yl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide is O=C(Nc1ccnn1Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is BSGGXRFCCYGJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O3S/c23-19-7-6-18(14-20(19)24)32(30,31)27-12-9-17(10-13-27)22(29)26-21-8-11-25-28(21)15-16-4-2-1-3-5-16/h1-8,11,14,17H,9-10,12-13,15H2,(H,26,29).
What are the key properties of N-(2-benzylpyrazol-3-yl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide?
N-(2-benzylpyrazol-3-yl)-1-(3,4-difluorophenyl)sulfonylpiperidine-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 N-(2-benzylpyrazol-3-yl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 17496766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).