1-[3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone

C22H23N3O3S — CID 99802875

IUPAC1-[3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C22H23N3O3S/c1-16(26)18-10-7-11-19(14-18)29(27,28)25-13-6-5-12-21(25)22-23-15-20(24-22)17-8-3-2-4-9-17/h2-4,7-11,14-15,21H,5-6,12-13H2,1H3,(H,23,24)/t21-/m0/s1
InChIKeyFSHDIQDMERYTTC-NRFANRHFSA-N
MW409.51 g/mol
LogP4.20
Rot. Bonds5

About 1-[3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone

1-[3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone (PubChem CID 99802875) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-[3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone
PubChem CID99802875
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name1-[3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C22H23N3O3S/c1-16(26)18-10-7-11-19(14-18)29(27,28)25-13-6-5-12-21(25)22-23-15-20(24-22)17-8-3-2-4-9-17/h2-4,7-11,14-15,21H,5-6,12-13H2,1H3,(H,23,24)/t21-/m0/s1
InChIKeyFSHDIQDMERYTTC-NRFANRHFSA-N
XLogP4.20
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone (CID 99802875) is 1-[3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)c1.
What is the InChIKey of 1-[3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is FSHDIQDMERYTTC-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-16(26)18-10-7-11-19(14-18)29(27,28)25-13-6-5-12-21(25)22-23-15-20(24-22)17-8-3-2-4-9-17/h2-4,7-11,14-15,21H,5-6,12-13H2,1H3,(H,23,24)/t21-/m0/s1.
What are the key properties of 1-[3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone?
1-[3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 409.51 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 99802875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).