1-(2,4-difluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine

C18H17F2N3O3S — CID 3854674

IUPAC1-(2,4-difluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCC(c2cc(-c3ccco3)n[nH]2)CC1
InChIInChI=1S/C18H17F2N3O3S/c19-13-3-4-18(14(20)10-13)27(24,25)23-7-5-12(6-8-23)15-11-16(22-21-15)17-2-1-9-26-17/h1-4,9-12H,5-8H2,(H,21,22)
InChIKeyYKLMSDWNHCBGKU-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.52
Rot. Bonds4

About 1-(2,4-difluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine

1-(2,4-difluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine (PubChem CID 3854674) has the molecular formula C18H17F2N3O3S and a molecular weight of 393.42 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine
PubChem CID3854674
Molecular FormulaC18H17F2N3O3S
Molecular Weight393.42 g/mol
Exact Mass393.10
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCC(c2cc(-c3ccco3)n[nH]2)CC1
InChIInChI=1S/C18H17F2N3O3S/c19-13-3-4-18(14(20)10-13)27(24,25)23-7-5-12(6-8-23)15-11-16(22-21-15)17-2-1-9-26-17/h1-4,9-12H,5-8H2,(H,21,22)
InChIKeyYKLMSDWNHCBGKU-UHFFFAOYSA-N
XLogP3.52
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-furyl)-1H-pyrazol-5-yl]piperidine
CID 2764503
5-[5-(2,4-Difluorophenyl)furan-2-yl]-1-(2,4-difluorophenyl)sulfonylpyrazole
CID 2805865
2-{4-[5-(2-furyl)-1H-pyrazol-3-yl]piperidino}acetonitrile
CID 2764506
5-(3,4-Dimethyl-1H-pyrazol-5-YL)-N-[(5-methylfuran-2-YL)methyl]furan-2-sulfonamide
CID 53075755
1,1,1-trifluoro-3-{4-[5-(2-furyl)-1H-pyrazol-3-yl]piperidino}-2-propanol
CID 3753227
1-{[5-(3-methyl-1H-pyrazol-5-yl)-2-furyl]sulfonyl}indoline
CID 46329418
N-(4-fluoro-2-methylphenyl)-5-(3-methyl-1H-pyrazol-5-yl)furan-2-sulfonamide
CID 46329424
1-{[5-(3,4-Dimethyl-1H-pyrazol-5-YL)furan-2-YL]sulfonyl}-4-methylpiperazine
CID 50784637
1-{[5-(1H-Pyrazol-5-YL)furan-2-YL]sulfonyl}-4-(pyrrolidine-1-carbonyl)piperidine
CID 50784639
1-(2-Fluorophenyl)-4-(1-{[5-(1H-pyrazol-5-YL)furan-2-YL]sulfonyl}piperidine-4-carbonyl)piperazine
CID 50784768
N-(Cyclohexylmethyl)-1-{[5-(1H-pyrazol-5-YL)furan-2-YL]sulfonyl}piperidine-4-carboxamide
CID 50786936
8-(1-{[5-(3-Methyl-1H-pyrazol-5-YL)furan-2-YL]sulfonyl}piperidine-4-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 50787056

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine (CID 3854674) is 1-(2,4-difluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine is O=S(=O)(c1ccc(F)cc1F)N1CCC(c2cc(-c3ccco3)n[nH]2)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is YKLMSDWNHCBGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3S/c19-13-3-4-18(14(20)10-13)27(24,25)23-7-5-12(6-8-23)15-11-16(22-21-15)17-2-1-9-26-17/h1-4,9-12H,5-8H2,(H,21,22).
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine?
1-(2,4-difluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 393.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 3854674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).