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

C19H24N2O3S — CID 4216489

IUPAC2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N2O3S/c1-16-7-9-18(10-8-16)25(23,24)21-13-11-20(12-14-21)15-19(22)17-5-3-2-4-6-17/h2-10,19,22H,11-15H2,1H3
InChIKeyRVEQKNWVNPAICL-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.03
Rot. Bonds5

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

2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol (PubChem CID 4216489) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
PubChem CID4216489
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N2O3S/c1-16-7-9-18(10-8-16)25(23,24)21-13-11-20(12-14-21)15-19(22)17-5-3-2-4-6-17/h2-10,19,22H,11-15H2,1H3
InChIKeyRVEQKNWVNPAICL-UHFFFAOYSA-N
XLogP2.03
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide
CID 2812775
2-[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 4875268
2-Hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 53383798
2-[4-(3,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 4449541
2-[4-(2-Hydroxy-2-phenylethyl)piperazin-1-yl]sulfonylbenzonitrile;oxalic acid
CID 16196461
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide
CID 21426686
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-1-phenylmethanesulfonamide
CID 21426687
1-(4-Fluorophenyl)-4-[2-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-ol
CID 10788272
1-(4-Propan-2-ylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanol
CID 16255451
2-Hydroxy-2-phenyl-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 53383802
(R)-4-(p-ethylphenylsulfonyl)-2-(p-fluorophenyl)morpholine
CID 93690492
2-(2-Hydroxyethyl)-1,1-dioxo-3,4-dihydro-1lambda6,2-benzothiazin-4-ol
CID 118738583

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol (CID 4216489) is 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol is Cc1ccc(S(=O)(=O)N2CCN(CC(O)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
The InChIKey is RVEQKNWVNPAICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-16-7-9-18(10-8-16)25(23,24)21-13-11-20(12-14-21)15-19(22)17-5-3-2-4-6-17/h2-10,19,22H,11-15H2,1H3.
What are the key properties of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol has a molecular weight of 360.48 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 4216489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).