(3S)-1-(3,5-difluorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine

C14H15F2N3O2S — CID 97055812

IUPAC(3S)-1-(3,5-difluorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@H](c2ncc[nH]2)C1
InChIInChI=1S/C14H15F2N3O2S/c15-11-6-12(16)8-13(7-11)22(20,21)19-5-1-2-10(9-19)14-17-3-4-18-14/h3-4,6-8,10H,1-2,5,9H2,(H,17,18)/t10-/m0/s1
InChIKeyIILLRYSLCAHELN-JTQLQIEISA-N
MW327.36 g/mol
LogP2.26
Rot. Bonds3

About (3S)-1-(3,5-difluorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine

(3S)-1-(3,5-difluorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine (PubChem CID 97055812) has the molecular formula C14H15F2N3O2S and a molecular weight of 327.36 g/mol. Its IUPAC name is (3S)-1-(3,5-difluorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-(3,5-difluorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine
PubChem CID97055812
Molecular FormulaC14H15F2N3O2S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC Name(3S)-1-(3,5-difluorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@H](c2ncc[nH]2)C1
InChIInChI=1S/C14H15F2N3O2S/c15-11-6-12(16)8-13(7-11)22(20,21)19-5-1-2-10(9-19)14-17-3-4-18-14/h3-4,6-8,10H,1-2,5,9H2,(H,17,18)/t10-/m0/s1
InChIKeyIILLRYSLCAHELN-JTQLQIEISA-N
XLogP2.26
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline
CID 84588500
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CID 86769473
formic acid;6-[3-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylchromen-2-one
CID 172910584
1-[(4-fluorophenyl)methyl]-3-(1H-imidazol-2-yl)piperidine
CID 75512434
6-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylthieno[3,2-b]pyridine
CID 126830184
3-(4-chlorophenyl)-1-(3,5-difluorophenyl)sulfonylazepane
CID 121146821
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(3,4,5-trifluorophenyl)sulfonylpiperazine
CID 129339222
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
(3R)-1-(3,5-difluorophenyl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine
CID 95275233
(3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
CID 94017405
[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119968867
(3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 124953145

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,5-difluorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine?
The IUPAC name of (3S)-1-(3,5-difluorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine (CID 97055812) is (3S)-1-(3,5-difluorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine.
What is the SMILES notation for (3S)-1-(3,5-difluorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine?
The canonical SMILES for (3S)-1-(3,5-difluorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine is O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@H](c2ncc[nH]2)C1.
What is the InChIKey of (3S)-1-(3,5-difluorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine?
The InChIKey is IILLRYSLCAHELN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15F2N3O2S/c15-11-6-12(16)8-13(7-11)22(20,21)19-5-1-2-10(9-19)14-17-3-4-18-14/h3-4,6-8,10H,1-2,5,9H2,(H,17,18)/t10-/m0/s1.
What are the key properties of (3S)-1-(3,5-difluorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine?
(3S)-1-(3,5-difluorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine has a molecular weight of 327.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,5-difluorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 97055812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).