1-benzhydryl-4-(2-phenoxyethylsulfonyl)piperazine

C25H28N2O3S — CID 90518198

IUPAC1-benzhydryl-4-(2-phenoxyethylsulfonyl)piperazine
SMILESO=S(=O)(CCOc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H28N2O3S/c28-31(29,21-20-30-24-14-8-3-9-15-24)27-18-16-26(17-19-27)25(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,25H,16-21H2
InChIKeyMGLAYSSWBSXEBH-UHFFFAOYSA-N
MW436.58 g/mol
LogP3.80
Rot. Bonds8

About 1-benzhydryl-4-(2-phenoxyethylsulfonyl)piperazine

1-benzhydryl-4-(2-phenoxyethylsulfonyl)piperazine (PubChem CID 90518198) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 1-benzhydryl-4-(2-phenoxyethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-(2-phenoxyethylsulfonyl)piperazine
PubChem CID90518198
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name1-benzhydryl-4-(2-phenoxyethylsulfonyl)piperazine
SMILESO=S(=O)(CCOc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H28N2O3S/c28-31(29,21-20-30-24-14-8-3-9-15-24)27-18-16-26(17-19-27)25(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,25H,16-21H2
InChIKeyMGLAYSSWBSXEBH-UHFFFAOYSA-N
XLogP3.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzhydryl-4-(4-butoxyphenyl)sulfonylpiperazine
CID 46100935
1-benzhydryl-4-benzylsulfonylpiperazine
CID 19682697
1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine
CID 56764843
1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 2920869
1-(4-benzhydrylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 2944402
1-(2-phenoxyethyl)-4-(2-phenoxyethylsulfonyl)piperazine-2,6-dione
CID 5337885
1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine
CID 110299928
2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyrimidine
CID 122341206
4-(2-phenoxyethylsulfonyl)-7-phenyl-1,4-thiazepane
CID 90629665
1-(1-phenylethyl)-4-propylsulfonylpiperazine
CID 113074030
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-4-(2-methoxyethoxy)benzamide
CID 17353555
methyl 4-[(4-benzhydrylpiperazin-1-yl)sulfonylmethyl]benzoate
CID 92682652

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-(2-phenoxyethylsulfonyl)piperazine?
The IUPAC name of 1-benzhydryl-4-(2-phenoxyethylsulfonyl)piperazine (CID 90518198) is 1-benzhydryl-4-(2-phenoxyethylsulfonyl)piperazine.
What is the SMILES notation for 1-benzhydryl-4-(2-phenoxyethylsulfonyl)piperazine?
The canonical SMILES for 1-benzhydryl-4-(2-phenoxyethylsulfonyl)piperazine is O=S(=O)(CCOc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-(2-phenoxyethylsulfonyl)piperazine?
The InChIKey is MGLAYSSWBSXEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c28-31(29,21-20-30-24-14-8-3-9-15-24)27-18-16-26(17-19-27)25(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,25H,16-21H2.
What are the key properties of 1-benzhydryl-4-(2-phenoxyethylsulfonyl)piperazine?
1-benzhydryl-4-(2-phenoxyethylsulfonyl)piperazine has a molecular weight of 436.58 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(2-phenoxyethylsulfonyl)piperazine is sourced from PubChem (CID 90518198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).