1-(2-chloro-6-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine

C14H15ClFN3O2S — CID 86794789

IUPAC1-(2-chloro-6-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine
SMILESO=S(=O)(c1c(F)cccc1Cl)N1CCC(n2cccn2)CC1
InChIInChI=1S/C14H15ClFN3O2S/c15-12-3-1-4-13(16)14(12)22(20,21)18-9-5-11(6-10-18)19-8-2-7-17-19/h1-4,7-8,11H,5-6,9-10H2
InChIKeyUDCZRJRQZHJYSJ-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.70
Rot. Bonds3

About 1-(2-chloro-6-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine

1-(2-chloro-6-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine (PubChem CID 86794789) has the molecular formula C14H15ClFN3O2S and a molecular weight of 343.81 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine
PubChem CID86794789
Molecular FormulaC14H15ClFN3O2S
Molecular Weight343.81 g/mol
Exact Mass343.06
IUPAC Name1-(2-chloro-6-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine
SMILESO=S(=O)(c1c(F)cccc1Cl)N1CCC(n2cccn2)CC1
InChIInChI=1S/C14H15ClFN3O2S/c15-12-3-1-4-13(16)14(12)22(20,21)18-9-5-11(6-10-18)19-8-2-7-17-19/h1-4,7-8,11H,5-6,9-10H2
InChIKeyUDCZRJRQZHJYSJ-UHFFFAOYSA-N
XLogP2.70
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine (CID 86794789) is 1-(2-chloro-6-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine is O=S(=O)(c1c(F)cccc1Cl)N1CCC(n2cccn2)CC1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine?
The InChIKey is UDCZRJRQZHJYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O2S/c15-12-3-1-4-13(16)14(12)22(20,21)18-9-5-11(6-10-18)19-8-2-7-17-19/h1-4,7-8,11H,5-6,9-10H2.
What are the key properties of 1-(2-chloro-6-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine?
1-(2-chloro-6-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine has a molecular weight of 343.81 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine is sourced from PubChem (CID 86794789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).