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

C21H23N3O2S — CID 44565848

IUPAC4-(1H-imidazol-2-ylmethyl)-1-(4-phenylphenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1
InChIInChI=1S/C21H23N3O2S/c25-27(26,20-8-6-19(7-9-20)18-4-2-1-3-5-18)24-14-10-17(11-15-24)16-21-22-12-13-23-21/h1-9,12-13,17H,10-11,14-16H2,(H,22,23)
InChIKeyLBWFDQTYUROFHQ-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.72
Rot. Bonds5

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

4-(1H-imidazol-2-ylmethyl)-1-(4-phenylphenyl)sulfonylpiperidine (PubChem CID 44565848) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylmethyl)-1-(4-phenylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylmethyl)-1-(4-phenylphenyl)sulfonylpiperidine
PubChem CID44565848
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name4-(1H-imidazol-2-ylmethyl)-1-(4-phenylphenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1
InChIInChI=1S/C21H23N3O2S/c25-27(26,20-8-6-19(7-9-20)18-4-2-1-3-5-18)24-14-10-17(11-15-24)16-21-22-12-13-23-21/h1-9,12-13,17H,10-11,14-16H2,(H,22,23)
InChIKeyLBWFDQTYUROFHQ-UHFFFAOYSA-N
XLogP3.72
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.72
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-ylmethyl)-1-(4-phenylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(1H-imidazol-2-ylmethyl)-1-(4-phenylphenyl)sulfonylpiperidine (CID 44565848) is 4-(1H-imidazol-2-ylmethyl)-1-(4-phenylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(1H-imidazol-2-ylmethyl)-1-(4-phenylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(1H-imidazol-2-ylmethyl)-1-(4-phenylphenyl)sulfonylpiperidine is O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1.
What is the InChIKey of 4-(1H-imidazol-2-ylmethyl)-1-(4-phenylphenyl)sulfonylpiperidine?
The InChIKey is LBWFDQTYUROFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c25-27(26,20-8-6-19(7-9-20)18-4-2-1-3-5-18)24-14-10-17(11-15-24)16-21-22-12-13-23-21/h1-9,12-13,17H,10-11,14-16H2,(H,22,23).
What are the key properties of 4-(1H-imidazol-2-ylmethyl)-1-(4-phenylphenyl)sulfonylpiperidine?
4-(1H-imidazol-2-ylmethyl)-1-(4-phenylphenyl)sulfonylpiperidine has a molecular weight of 381.50 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-ylmethyl)-1-(4-phenylphenyl)sulfonylpiperidine is sourced from PubChem (CID 44565848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).