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

C19H22N2O4S — CID 53383798

IUPAC2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)C(O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O4S/c1-15-7-9-17(10-8-15)26(24,25)21-13-11-20(12-14-21)19(23)18(22)16-5-3-2-4-6-16/h2-10,18,22H,11-14H2,1H3
InChIKeyZXIQYXSCJQAMIW-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.56
Rot. Bonds4

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

2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone (PubChem CID 53383798) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
PubChem CID53383798
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)C(O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O4S/c1-15-7-9-17(10-8-15)26(24,25)21-13-11-20(12-14-21)19(23)18(22)16-5-3-2-4-6-16/h2-10,18,22H,11-14H2,1H3
InChIKeyZXIQYXSCJQAMIW-UHFFFAOYSA-N
XLogP1.56
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 4216489
2-[4-(3,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 4449541
1-[4-(3,4-Difluorophenyl)sulfonylpiperazin-1-yl]-2-hydroxy-2-phenylethanone
CID 53383799
2-Hydroxy-2-phenyl-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 53383802
Ethyl 3-hydroxy-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenylpropanoate
CID 5130576
2-Hydroxy-1-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 53383801
(2S,4R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-4-phenylbutanamide
CID 10885532
(2S,4R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]pentanamide
CID 10906166
(2S,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-5-phenylpentanamide
CID 10973240
(2S,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,5-trimethyl-4-[(4-methylphenyl)sulfonylamino]hexanamide
CID 11026921
(2S,4R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-5-phenylpentanamide
CID 11049461
(2S,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]pentanamide
CID 11812078

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone?
The IUPAC name of 2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone (CID 53383798) is 2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(O)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone?
The InChIKey is ZXIQYXSCJQAMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-15-7-9-17(10-8-15)26(24,25)21-13-11-20(12-14-21)19(23)18(22)16-5-3-2-4-6-16/h2-10,18,22H,11-14H2,1H3.
What are the key properties of 2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone?
2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone has a molecular weight of 374.46 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 53383798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).