(3R)-1-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine

C15H18FN3O2S — CID 26360100

IUPAC(3R)-1-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
SMILESCc1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C15H18FN3O2S/c1-11-9-17-18-15(11)12-4-3-7-19(10-12)22(20,21)14-6-2-5-13(16)8-14/h2,5-6,8-9,12H,3-4,7,10H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyHZNPTTHDNRAIFC-GFCCVEGCSA-N
MW323.39 g/mol
LogP2.43
Rot. Bonds3

About (3R)-1-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine

(3R)-1-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine (PubChem CID 26360100) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is (3R)-1-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name(3R)-1-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
PubChem CID26360100
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name(3R)-1-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
SMILESCc1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C15H18FN3O2S/c1-11-9-17-18-15(11)12-4-3-7-19(10-12)22(20,21)14-6-2-5-13(16)8-14/h2,5-6,8-9,12H,3-4,7,10H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyHZNPTTHDNRAIFC-GFCCVEGCSA-N
XLogP2.43
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of (3R)-1-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine (CID 26360100) is (3R)-1-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for (3R)-1-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for (3R)-1-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine is Cc1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1.
What is the InChIKey of (3R)-1-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The InChIKey is HZNPTTHDNRAIFC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-11-9-17-18-15(11)12-4-3-7-19(10-12)22(20,21)14-6-2-5-13(16)8-14/h2,5-6,8-9,12H,3-4,7,10H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (3R)-1-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
(3R)-1-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine has a molecular weight of 323.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 26360100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).