[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone

C18H20N2O3S — CID 707395

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N2O3S/c1-15-7-9-16(10-8-15)18(21)19-11-13-20(14-12-19)24(22,23)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3
InChIKeyAFYWAQYXTPMOSG-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.14
Rot. Bonds3

About [4-(benzenesulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone

[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 707395) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID707395
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N2O3S/c1-15-7-9-16(10-8-15)18(21)19-11-13-20(14-12-19)24(22,23)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3
InChIKeyAFYWAQYXTPMOSG-UHFFFAOYSA-N
XLogP2.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone (CID 707395) is [4-(benzenesulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is AFYWAQYXTPMOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-15-7-9-16(10-8-15)18(21)19-11-13-20(14-12-19)24(22,23)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 344.44 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 707395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).