2-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)ethanone

C18H20N2O3S — CID 7177745

IUPAC2-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20N2O3S/c21-18(15-24(22,23)17-9-5-2-6-10-17)20-13-11-19(12-14-20)16-7-3-1-4-8-16/h1-10H,11-15H2
InChIKeyJIRRLANVTVHTFN-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.81
Rot. Bonds4

About 2-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)ethanone

2-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 7177745) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID7177745
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20N2O3S/c21-18(15-24(22,23)17-9-5-2-6-10-17)20-13-11-19(12-14-20)16-7-3-1-4-8-16/h1-10H,11-15H2
InChIKeyJIRRLANVTVHTFN-UHFFFAOYSA-N
XLogP1.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)ethanone (CID 7177745) is 2-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)ethanone is O=C(CS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is JIRRLANVTVHTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-18(15-24(22,23)17-9-5-2-6-10-17)20-13-11-19(12-14-20)16-7-3-1-4-8-16/h1-10H,11-15H2.
What are the key properties of 2-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 344.44 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 7177745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).