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

C19H22N2O4S — CID 110818318

IUPAC1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
SMILESCOc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2O4S/c1-25-17-9-5-6-10-18(17)26(23,24)21-13-11-20(12-14-21)19(22)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeyALAUXFKJCRQBCL-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.77
Rot. Bonds5

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

1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone (PubChem CID 110818318) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
PubChem CID110818318
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
SMILESCOc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2O4S/c1-25-17-9-5-6-10-18(17)26(23,24)21-13-11-20(12-14-21)19(22)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeyALAUXFKJCRQBCL-UHFFFAOYSA-N
XLogP1.77
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 47104113
2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 71902438
2-(3,4-dimethoxyphenyl)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 7750532
2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 55447305
1-[4-(2-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]pentan-1-one
CID 110797287
2-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4822233
2-(4-fluorophenyl)-1-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 55682064
N-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 43039559
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylethanone;oxalic acid
CID 171154799
[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110805410
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 26202246
1-ethylsulfonyl-4-(2-methoxyphenyl)sulfonyl-1,4-diazepane
CID 110799657

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone (CID 110818318) is 1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone is COc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone?
The InChIKey is ALAUXFKJCRQBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-25-17-9-5-6-10-18(17)26(23,24)21-13-11-20(12-14-21)19(22)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3.
What are the key properties of 1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone?
1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone has a molecular weight of 374.46 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 110818318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).