(4-benzylpiperazin-1-yl)-(2-methylsulfonylphenyl)methanone

C19H22N2O3S — CID 2458706

IUPAC(4-benzylpiperazin-1-yl)-(2-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2O3S/c1-25(23,24)18-10-6-5-9-17(18)19(22)21-13-11-20(12-14-21)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeyUXKDEXKBYGILDQ-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.05
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-(2-methylsulfonylphenyl)methanone

(4-benzylpiperazin-1-yl)-(2-methylsulfonylphenyl)methanone (PubChem CID 2458706) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(2-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(2-methylsulfonylphenyl)methanone
PubChem CID2458706
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name(4-benzylpiperazin-1-yl)-(2-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2O3S/c1-25(23,24)18-10-6-5-9-17(18)19(22)21-13-11-20(12-14-21)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeyUXKDEXKBYGILDQ-UHFFFAOYSA-N
XLogP2.05
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzylpiperazin-1-yl)-(2-methylsulfonylphenyl)methanone 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-benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine
CID 197239
4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzamide
CID 9953268
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(benzylsulfonyl)-N-methylbenzamide Hydrochloride
CID 197240
Piperidine Derivative 22
CID 10029132
4-(4-Phenylpiperidin-1-yl)carbonylbenzenesulfonamide
CID 135393499
4-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide
CID 135393501
Piperidine Derivative 3m
CID 14096766
3-[[1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl]sulfonyl]benzamide
CID 11133309
N-benzyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076673
1-(4-Methylbenzoyl)-4-(phenylsulfonyl)piperazine
CID 707395
(2-Benzylsulfanylphenyl)-morpholin-4-ylmethanone
CID 563441
4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 134158397

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(2-methylsulfonylphenyl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(2-methylsulfonylphenyl)methanone (CID 2458706) is (4-benzylpiperazin-1-yl)-(2-methylsulfonylphenyl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(2-methylsulfonylphenyl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(2-methylsulfonylphenyl)methanone is CS(=O)(=O)c1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(2-methylsulfonylphenyl)methanone?
The InChIKey is UXKDEXKBYGILDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-25(23,24)18-10-6-5-9-17(18)19(22)21-13-11-20(12-14-21)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(2-methylsulfonylphenyl)methanone?
(4-benzylpiperazin-1-yl)-(2-methylsulfonylphenyl)methanone has a molecular weight of 358.46 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(2-methylsulfonylphenyl)methanone is sourced from PubChem (CID 2458706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).