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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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).