(3S)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine

C15H17ClFN3O2S — CID 129357949

IUPAC(3S)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine
SMILESCn1ccc([C@H]2CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)n1
InChIInChI=1S/C15H17ClFN3O2S/c1-19-8-6-15(18-19)11-3-2-7-20(10-11)23(21,22)12-4-5-14(17)13(16)9-12/h4-6,8-9,11H,2-3,7,10H2,1H3/t11-/m0/s1
InChIKeyYMIZTNMRRZQKJZ-NSHDSACASA-N
MW357.84 g/mol
LogP2.78
Rot. Bonds3

About (3S)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine

(3S)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine (PubChem CID 129357949) has the molecular formula C15H17ClFN3O2S and a molecular weight of 357.84 g/mol. Its IUPAC name is (3S)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine
PubChem CID129357949
Molecular FormulaC15H17ClFN3O2S
Molecular Weight357.84 g/mol
Exact Mass357.07
IUPAC Name(3S)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine
SMILESCn1ccc([C@H]2CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)n1
InChIInChI=1S/C15H17ClFN3O2S/c1-19-8-6-15(18-19)11-3-2-7-20(10-11)23(21,22)12-4-5-14(17)13(16)9-12/h4-6,8-9,11H,2-3,7,10H2,1H3/t11-/m0/s1
InChIKeyYMIZTNMRRZQKJZ-NSHDSACASA-N
XLogP2.78
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-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 (3S)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine?
The IUPAC name of (3S)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine (CID 129357949) is (3S)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine.
What is the SMILES notation for (3S)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine?
The canonical SMILES for (3S)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine is Cn1ccc([C@H]2CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)n1.
What is the InChIKey of (3S)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine?
The InChIKey is YMIZTNMRRZQKJZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H17ClFN3O2S/c1-19-8-6-15(18-19)11-3-2-7-20(10-11)23(21,22)12-4-5-14(17)13(16)9-12/h4-6,8-9,11H,2-3,7,10H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine?
(3S)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine has a molecular weight of 357.84 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine is sourced from PubChem (CID 129357949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).