(4-phenylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone

C20H24N2O3S — CID 1151712

IUPAC(4-phenylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O3S/c1-2-16-26(24,25)22-14-12-21(13-15-22)20(23)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3
InChIKeyZJEHFZGBHSPLND-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.85
Rot. Bonds5

About (4-phenylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone

(4-phenylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone (PubChem CID 1151712) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (4-phenylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-phenylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
PubChem CID1151712
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(4-phenylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O3S/c1-2-16-26(24,25)22-14-12-21(13-15-22)20(23)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3
InChIKeyZJEHFZGBHSPLND-UHFFFAOYSA-N
XLogP2.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (4-phenylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone (CID 1151712) is (4-phenylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-phenylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (4-phenylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone is CCCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of (4-phenylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The InChIKey is ZJEHFZGBHSPLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-2-16-26(24,25)22-14-12-21(13-15-22)20(23)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3.
What are the key properties of (4-phenylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
(4-phenylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone has a molecular weight of 372.49 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 1151712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).