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

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Related Compounds

1-(4-Fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127048499
3-(Imidazol-1-ylmethyl)-1-(2,3,4-trifluorophenyl)sulfonylpiperidine
CID 127048838
1-(4-Fluoro-2-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127048841
1-(3,4-Difluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127050749
3-Chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 127051682
1-(4-Fluoro-3-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127052903
Benzenesulfonamide, 4-chloro-N-(1-cyclohexyl-1H-imidazol-2-yl)-
CID 3054828
1-(4-Fluorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine
CID 14278721
1-(4-Chlorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine
CID 14278723
3-chloro-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 53502138
3-chloro-4-fluoro-N-((1-(pyrazin-2-yl)piperidin-4-yl)methyl)benzenesulfonamide
CID 71786426
1-(2-chlorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine
CID 75425735

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).