1-(3-chloro-4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine

C15H17ClFN3O2S — CID 127051351

IUPAC1-(3-chloro-4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCCC(Cn2ccnc2)C1
InChIInChI=1S/C15H17ClFN3O2S/c16-14-8-13(3-4-15(14)17)23(21,22)20-6-1-2-12(10-20)9-19-7-5-18-11-19/h3-5,7-8,11-12H,1-2,6,9-10H2
InChIKeyQCXBBMJAJFMQPJ-UHFFFAOYSA-N
MW357.84 g/mol
LogP2.78
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine

1-(3-chloro-4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine (PubChem CID 127051351) has the molecular formula C15H17ClFN3O2S and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
PubChem CID127051351
Molecular FormulaC15H17ClFN3O2S
Molecular Weight357.84 g/mol
Exact Mass357.07
IUPAC Name1-(3-chloro-4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCCC(Cn2ccnc2)C1
InChIInChI=1S/C15H17ClFN3O2S/c16-14-8-13(3-4-15(14)17)23(21,22)20-6-1-2-12(10-20)9-19-7-5-18-11-19/h3-5,7-8,11-12H,1-2,6,9-10H2
InChIKeyQCXBBMJAJFMQPJ-UHFFFAOYSA-N
XLogP2.78
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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 1-(3-chloro-4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)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 1-(3-chloro-4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine (CID 127051351) is 1-(3-chloro-4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine is O=S(=O)(c1ccc(F)c(Cl)c1)N1CCCC(Cn2ccnc2)C1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine?
The InChIKey is QCXBBMJAJFMQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O2S/c16-14-8-13(3-4-15(14)17)23(21,22)20-6-1-2-12(10-20)9-19-7-5-18-11-19/h3-5,7-8,11-12H,1-2,6,9-10H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine?
1-(3-chloro-4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine has a molecular weight of 357.84 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine is sourced from PubChem (CID 127051351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).