1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone

C19H22N2O3S — CID 1148036

IUPAC1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O3S/c1-16-7-9-18(10-8-16)25(23,24)21-13-11-20(12-14-21)19(22)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
InChIKeyQRQGPEHZSQJNQJ-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.07
Rot. Bonds4

About 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone

1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone (PubChem CID 1148036) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
PubChem CID1148036
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O3S/c1-16-7-9-18(10-8-16)25(23,24)21-13-11-20(12-14-21)19(22)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
InChIKeyQRQGPEHZSQJNQJ-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone (CID 1148036) is 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone?
The InChIKey is QRQGPEHZSQJNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-16-7-9-18(10-8-16)25(23,24)21-13-11-20(12-14-21)19(22)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3.
What are the key properties of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone?
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone has a molecular weight of 358.46 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 1148036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).