(1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol

C20H26N2O3S — CID 9248105

IUPAC(1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H26N2O3S/c1-16-8-9-17(2)20(14-16)26(24,25)22-12-10-21(11-13-22)15-19(23)18-6-4-3-5-7-18/h3-9,14,19,23H,10-13,15H2,1-2H3/t19-/m1/s1
InChIKeyMLFQAVLHEPBDRT-LJQANCHMSA-N
MW374.51 g/mol
LogP2.34
Rot. Bonds5

About (1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol

(1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol (PubChem CID 9248105) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is (1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
PubChem CID9248105
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name(1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H26N2O3S/c1-16-8-9-17(2)20(14-16)26(24,25)22-12-10-21(11-13-22)15-19(23)18-6-4-3-5-7-18/h3-9,14,19,23H,10-13,15H2,1-2H3/t19-/m1/s1
InChIKeyMLFQAVLHEPBDRT-LJQANCHMSA-N
XLogP2.34
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 26945221
(1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 2451043
(1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248169
1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 95753287
1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 52526261
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
CID 36849344
(1R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-phenylethanol
CID 31690686
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 8730839
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 8730834
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butanenitrile
CID 8694159
(1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248163
(1R)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248165

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
The IUPAC name of (1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol (CID 9248105) is (1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
The canonical SMILES for (1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol is Cc1ccc(C)c(S(=O)(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)c1.
What is the InChIKey of (1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
The InChIKey is MLFQAVLHEPBDRT-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-16-8-9-17(2)20(14-16)26(24,25)22-12-10-21(11-13-22)15-19(23)18-6-4-3-5-7-18/h3-9,14,19,23H,10-13,15H2,1-2H3/t19-/m1/s1.
What are the key properties of (1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
(1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol has a molecular weight of 374.51 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 9248105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).