1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide

C17H20F2N4O3S — CID 55601726

IUPAC1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n(C)n1
InChIInChI=1S/C17H20F2N4O3S/c1-11-9-16(22(2)21-11)20-17(24)12-5-7-23(8-6-12)27(25,26)15-10-13(18)3-4-14(15)19/h3-4,9-10,12H,5-8H2,1-2H3,(H,20,24)
InChIKeyQIMYMGUBPXHQHF-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.05
Rot. Bonds4

About 1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide

1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide (PubChem CID 55601726) has the molecular formula C17H20F2N4O3S and a molecular weight of 398.44 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide
PubChem CID55601726
Molecular FormulaC17H20F2N4O3S
Molecular Weight398.44 g/mol
Exact Mass398.12
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n(C)n1
InChIInChI=1S/C17H20F2N4O3S/c1-11-9-16(22(2)21-11)20-17(24)12-5-7-23(8-6-12)27(25,26)15-10-13(18)3-4-14(15)19/h3-4,9-10,12H,5-8H2,1-2H3,(H,20,24)
InChIKeyQIMYMGUBPXHQHF-UHFFFAOYSA-N
XLogP2.05
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55480734
N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 47025765
1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide
CID 55521485
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
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 112805813
N-[2-(azepan-1-yl)ethyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55613661
ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 78797808
1-(2,5-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide
CID 55514825
N-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55779087
1-(2,5-difluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide
CID 55407382
1-(2,5-difluorophenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide
CID 55601975

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide (CID 55601726) is 1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n(C)n1.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide?
The InChIKey is QIMYMGUBPXHQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O3S/c1-11-9-16(22(2)21-11)20-17(24)12-5-7-23(8-6-12)27(25,26)15-10-13(18)3-4-14(15)19/h3-4,9-10,12H,5-8H2,1-2H3,(H,20,24).
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide?
1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.05, 4 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-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55601726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).