1-(3,4-difluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine

C15H17F2N3O2S — CID 45171384

IUPAC1-(3,4-difluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
SMILESCc1cn[nH]c1C1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H17F2N3O2S/c1-10-8-18-19-15(10)11-3-2-6-20(9-11)23(21,22)12-4-5-13(16)14(17)7-12/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,18,19)
InChIKeyUGYSVALEAWFOBE-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.56
Rot. Bonds3

About 1-(3,4-difluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine

1-(3,4-difluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine (PubChem CID 45171384) has the molecular formula C15H17F2N3O2S and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
PubChem CID45171384
Molecular FormulaC15H17F2N3O2S
Molecular Weight341.38 g/mol
Exact Mass341.10
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
SMILESCc1cn[nH]c1C1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H17F2N3O2S/c1-10-8-18-19-15(10)11-3-2-6-20(9-11)23(21,22)12-4-5-13(16)14(17)7-12/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,18,19)
InChIKeyUGYSVALEAWFOBE-UHFFFAOYSA-N
XLogP2.56
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,6S)-5-(4-chlorophenyl)sulfonyl-4,6-diethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 46236732
(4R,6R)-4,6-di(propan-2-yl)-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 46883804
5-(4-chlorophenyl)sulfonyl-7,7-difluoro-4-propan-2-yl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890761
(4R,6S)-4-cyclopropyl-7,7-difluoro-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890816
7,7-difluoro-4-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890820
5-(4-Chlorophenylsulfonyl)-6-isopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 16730475
5-(4-Chlorophenylsulfonyl)-6-(3,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 16730478
CID 56679251
CID 56679251
(6S)-5-(4-chlorophenyl)sulfonyl-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 46884457
4,6-dicyclopropyl-7,7-difluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890818
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 53325446
(9S)-9-phenyl-12-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene
CID 56672571

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine (CID 45171384) is 1-(3,4-difluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine is Cc1cn[nH]c1C1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The InChIKey is UGYSVALEAWFOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2S/c1-10-8-18-19-15(10)11-3-2-6-20(9-11)23(21,22)12-4-5-13(16)14(17)7-12/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,18,19).
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
1-(3,4-difluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine has a molecular weight of 341.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 45171384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).