1-benzhydryl-4-benzylsulfonylpiperazine

C24H26N2O2S — CID 19682697

IUPAC1-benzhydryl-4-benzylsulfonylpiperazine
SMILESO=S(=O)(Cc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H26N2O2S/c27-29(28,20-21-10-4-1-5-11-21)26-18-16-25(17-19-26)24(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24H,16-20H2
InChIKeyIVSUCMXOJHRMET-UHFFFAOYSA-N
MW406.55 g/mol
LogP3.92
Rot. Bonds6

About 1-benzhydryl-4-benzylsulfonylpiperazine

1-benzhydryl-4-benzylsulfonylpiperazine (PubChem CID 19682697) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 1-benzhydryl-4-benzylsulfonylpiperazine.

Molecular Properties

Compound Name1-benzhydryl-4-benzylsulfonylpiperazine
PubChem CID19682697
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name1-benzhydryl-4-benzylsulfonylpiperazine
SMILESO=S(=O)(Cc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H26N2O2S/c27-29(28,20-21-10-4-1-5-11-21)26-18-16-25(17-19-26)24(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24H,16-20H2
InChIKeyIVSUCMXOJHRMET-UHFFFAOYSA-N
XLogP3.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(4-benzhydrylpiperazin-1-yl)sulfonylmethyl]benzoate
CID 92682652
N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 4830143
1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine
CID 8694227
1-benzhydryl-4-(2-phenoxyethylsulfonyl)piperazine
CID 90518198
4-benzylsulfonylpiperazine-1-carbaldehyde
CID 3750884
(1S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-phenylethanol
CID 9248196
1-benzylsulfonyl-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine
CID 9443316
2-(4-benzylsulfonylpiperazin-1-yl)pentanoic acid
CID 146134814
2-(4-benzylsulfonylpiperazin-1-yl)ethanamine
CID 43252222
1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone
CID 56538250
1-(4-benzylsulfonylpiperazin-1-yl)-2-(1,2-diphenylethylamino)ethanone
CID 42887549
2-amino-1-(4-benzylsulfonylpiperazin-1-yl)propan-1-one
CID 119270045

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-benzylsulfonylpiperazine?
The IUPAC name of 1-benzhydryl-4-benzylsulfonylpiperazine (CID 19682697) is 1-benzhydryl-4-benzylsulfonylpiperazine.
What is the SMILES notation for 1-benzhydryl-4-benzylsulfonylpiperazine?
The canonical SMILES for 1-benzhydryl-4-benzylsulfonylpiperazine is O=S(=O)(Cc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-benzylsulfonylpiperazine?
The InChIKey is IVSUCMXOJHRMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c27-29(28,20-21-10-4-1-5-11-21)26-18-16-25(17-19-26)24(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24H,16-20H2.
What are the key properties of 1-benzhydryl-4-benzylsulfonylpiperazine?
1-benzhydryl-4-benzylsulfonylpiperazine has a molecular weight of 406.55 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-benzylsulfonylpiperazine is sourced from PubChem (CID 19682697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).