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

C19H22N2O3S — CID 1151587

IUPAC(4-ethylsulfonylpiperazin-1-yl)-(4-phenylphenyl)methanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C19H22N2O3S/c1-2-25(23,24)21-14-12-20(13-15-21)19(22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3
InChIKeyPDHQHECHNHGIMV-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.46
Rot. Bonds4

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

(4-ethylsulfonylpiperazin-1-yl)-(4-phenylphenyl)methanone (PubChem CID 1151587) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (4-ethylsulfonylpiperazin-1-yl)-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name(4-ethylsulfonylpiperazin-1-yl)-(4-phenylphenyl)methanone
PubChem CID1151587
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name(4-ethylsulfonylpiperazin-1-yl)-(4-phenylphenyl)methanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C19H22N2O3S/c1-2-25(23,24)21-14-12-20(13-15-21)19(22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3
InChIKeyPDHQHECHNHGIMV-UHFFFAOYSA-N
XLogP2.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-(4-phenylphenyl)methanone?
The IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-(4-phenylphenyl)methanone (CID 1151587) is (4-ethylsulfonylpiperazin-1-yl)-(4-phenylphenyl)methanone.
What is the SMILES notation for (4-ethylsulfonylpiperazin-1-yl)-(4-phenylphenyl)methanone?
The canonical SMILES for (4-ethylsulfonylpiperazin-1-yl)-(4-phenylphenyl)methanone is CCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of (4-ethylsulfonylpiperazin-1-yl)-(4-phenylphenyl)methanone?
The InChIKey is PDHQHECHNHGIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-2-25(23,24)21-14-12-20(13-15-21)19(22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3.
What are the key properties of (4-ethylsulfonylpiperazin-1-yl)-(4-phenylphenyl)methanone?
(4-ethylsulfonylpiperazin-1-yl)-(4-phenylphenyl)methanone has a molecular weight of 358.46 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonylpiperazin-1-yl)-(4-phenylphenyl)methanone is sourced from PubChem (CID 1151587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).