(3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine

C15H17ClFN3O2S — CID 29211441

IUPAC(3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
SMILESCc1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1
InChIInChI=1S/C15H17ClFN3O2S/c1-10-8-18-19-15(10)11-3-2-6-20(9-11)23(21,22)14-5-4-12(17)7-13(14)16/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyOMYCVCRPRNQMQQ-LLVKDONJSA-N
MW357.84 g/mol
LogP3.08
Rot. Bonds3

About (3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine

(3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine (PubChem CID 29211441) has the molecular formula C15H17ClFN3O2S and a molecular weight of 357.84 g/mol. Its IUPAC name is (3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name(3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
PubChem CID29211441
Molecular FormulaC15H17ClFN3O2S
Molecular Weight357.84 g/mol
Exact Mass357.07
IUPAC Name(3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
SMILESCc1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1
InChIInChI=1S/C15H17ClFN3O2S/c1-10-8-18-19-15(10)11-3-2-6-20(9-11)23(21,22)14-5-4-12(17)7-13(14)16/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyOMYCVCRPRNQMQQ-LLVKDONJSA-N
XLogP3.08
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of (3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine (CID 29211441) is (3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for (3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for (3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine is Cc1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1.
What is the InChIKey of (3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The InChIKey is OMYCVCRPRNQMQQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17ClFN3O2S/c1-10-8-18-19-15(10)11-3-2-6-20(9-11)23(21,22)14-5-4-12(17)7-13(14)16/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of (3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
(3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine has a molecular weight of 357.84 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 29211441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).