3-(4-benzylsulfonylpiperazin-1-yl)phenol

C17H20N2O3S — CID 75402119

IUPAC3-(4-benzylsulfonylpiperazin-1-yl)phenol
SMILESO=S(=O)(Cc1ccccc1)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C17H20N2O3S/c20-17-8-4-7-16(13-17)18-9-11-19(12-10-18)23(21,22)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
InChIKeySXWNOFZDQUZZQP-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.04
Rot. Bonds4

About 3-(4-benzylsulfonylpiperazin-1-yl)phenol

3-(4-benzylsulfonylpiperazin-1-yl)phenol (PubChem CID 75402119) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-(4-benzylsulfonylpiperazin-1-yl)phenol.

Molecular Properties

Compound Name3-(4-benzylsulfonylpiperazin-1-yl)phenol
PubChem CID75402119
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name3-(4-benzylsulfonylpiperazin-1-yl)phenol
SMILESO=S(=O)(Cc1ccccc1)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C17H20N2O3S/c20-17-8-4-7-16(13-17)18-9-11-19(12-10-18)23(21,22)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
InChIKeySXWNOFZDQUZZQP-UHFFFAOYSA-N
XLogP2.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylsulfonylpiperazin-1-yl)phenol
CID 640050
4-(4-benzylsulfonylpiperazin-1-yl)pyridine-2-carboxamide
CID 133313373
1-(1-benzylsulfonylpiperidin-4-yl)-4-phenylpiperazin-1-ium
CID 7325650
4-benzylsulfonylpiperazine-1-carbaldehyde
CID 3750884
1-[4-(2-benzylsulfonyl-1,3-dihydroisoindol-5-yl)piperazin-1-yl]ethanone
CID 162676853
1-benzhydryl-4-benzylsulfonylpiperazine
CID 19682697
1-benzylsulfonyl-4-pyridin-1-ium-2-ylpiperazine
CID 7832228
(4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 51151956
1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]pyrrolidine
CID 168512260
4-(4-benzylsulfonylpiperazin-1-yl)-6-phenylpyrimidine
CID 20933367
4-(4-benzylsulfonylpiperazin-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56922983
1-benzylsulfonyl-4-(3-bromophenyl)sulfonylpiperazine
CID 26947059

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylsulfonylpiperazin-1-yl)phenol?
The IUPAC name of 3-(4-benzylsulfonylpiperazin-1-yl)phenol (CID 75402119) is 3-(4-benzylsulfonylpiperazin-1-yl)phenol.
What is the SMILES notation for 3-(4-benzylsulfonylpiperazin-1-yl)phenol?
The canonical SMILES for 3-(4-benzylsulfonylpiperazin-1-yl)phenol is O=S(=O)(Cc1ccccc1)N1CCN(c2cccc(O)c2)CC1.
What is the InChIKey of 3-(4-benzylsulfonylpiperazin-1-yl)phenol?
The InChIKey is SXWNOFZDQUZZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c20-17-8-4-7-16(13-17)18-9-11-19(12-10-18)23(21,22)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2.
What are the key properties of 3-(4-benzylsulfonylpiperazin-1-yl)phenol?
3-(4-benzylsulfonylpiperazin-1-yl)phenol has a molecular weight of 332.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylsulfonylpiperazin-1-yl)phenol is sourced from PubChem (CID 75402119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).