4-(1H-imidazol-2-yl)-1-(4-phenylphenyl)sulfonylpiperidine

C20H21N3O2S — CID 44565847

IUPAC4-(1H-imidazol-2-yl)-1-(4-phenylphenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C20H21N3O2S/c24-26(25,23-14-10-18(11-15-23)20-21-12-13-22-20)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,12-13,18H,10-11,14-15H2,(H,21,22)
InChIKeyPNYGWNZQWFJTAH-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.64
Rot. Bonds4

About 4-(1H-imidazol-2-yl)-1-(4-phenylphenyl)sulfonylpiperidine

4-(1H-imidazol-2-yl)-1-(4-phenylphenyl)sulfonylpiperidine (PubChem CID 44565847) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-1-(4-phenylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-1-(4-phenylphenyl)sulfonylpiperidine
PubChem CID44565847
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name4-(1H-imidazol-2-yl)-1-(4-phenylphenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C20H21N3O2S/c24-26(25,23-14-10-18(11-15-23)20-21-12-13-22-20)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,12-13,18H,10-11,14-15H2,(H,21,22)
InChIKeyPNYGWNZQWFJTAH-UHFFFAOYSA-N
XLogP3.64
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-1-(4-phenylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(1H-imidazol-2-yl)-1-(4-phenylphenyl)sulfonylpiperidine (CID 44565847) is 4-(1H-imidazol-2-yl)-1-(4-phenylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-1-(4-phenylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(1H-imidazol-2-yl)-1-(4-phenylphenyl)sulfonylpiperidine is O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-1-(4-phenylphenyl)sulfonylpiperidine?
The InChIKey is PNYGWNZQWFJTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c24-26(25,23-14-10-18(11-15-23)20-21-12-13-22-20)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,12-13,18H,10-11,14-15H2,(H,21,22).
What are the key properties of 4-(1H-imidazol-2-yl)-1-(4-phenylphenyl)sulfonylpiperidine?
4-(1H-imidazol-2-yl)-1-(4-phenylphenyl)sulfonylpiperidine has a molecular weight of 367.47 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-1-(4-phenylphenyl)sulfonylpiperidine is sourced from PubChem (CID 44565847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).