1-(benzenesulfonyl)-4-benzhydrylpiperazine

C23H24N2O2S — CID 1075122

IUPAC1-(benzenesulfonyl)-4-benzhydrylpiperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H24N2O2S/c26-28(27,22-14-8-3-9-15-22)25-18-16-24(17-19-25)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23H,16-19H2
InChIKeyOCDSUQYYFNWFDM-UHFFFAOYSA-N
MW392.52 g/mol
LogP3.78
Rot. Bonds5

About 1-(benzenesulfonyl)-4-benzhydrylpiperazine

1-(benzenesulfonyl)-4-benzhydrylpiperazine (PubChem CID 1075122) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-benzhydrylpiperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-benzhydrylpiperazine
PubChem CID1075122
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name1-(benzenesulfonyl)-4-benzhydrylpiperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H24N2O2S/c26-28(27,22-14-8-3-9-15-22)25-18-16-24(17-19-25)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23H,16-19H2
InChIKeyOCDSUQYYFNWFDM-UHFFFAOYSA-N
XLogP3.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cinnarizine
CID 1547484
(E)-1-Benzhydryl-4-cinnamylpiperazine
CID 1615336
1-(Diphenylmethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 2761
Cyclotriazadisulfonamide
CID 466371
1-(Benzenesulfonyl)-4-benzylpiperazine
CID 711024
1-[1-(4-Benzenesulfonyl-phenyl)-ethyl]-4-cyclohexyl-piperazine
CID 15392110
1-Cyclohexyl-4-{1-[4-(toluene-4-sulfonyl)-phenyl]-ethyl}-piperazine
CID 44312083
N-Benzyl-N-isopropyl-4-methyl-benzenesulfonamide
CID 668963
1-(2-Phenylethyl)-4-(phenylsulfonyl)piperazine
CID 6467663
N-[(2S)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 16242636
1-(3-Fluorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 764400
1-(1-Benzyl-4-piperidinyl)-4-(phenylsulfonyl)piperazine
CID 1131737

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-benzhydrylpiperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-benzhydrylpiperazine (CID 1075122) is 1-(benzenesulfonyl)-4-benzhydrylpiperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-benzhydrylpiperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-benzhydrylpiperazine is O=S(=O)(c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-benzhydrylpiperazine?
The InChIKey is OCDSUQYYFNWFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c26-28(27,22-14-8-3-9-15-22)25-18-16-24(17-19-25)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23H,16-19H2.
What are the key properties of 1-(benzenesulfonyl)-4-benzhydrylpiperazine?
1-(benzenesulfonyl)-4-benzhydrylpiperazine has a molecular weight of 392.52 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-benzhydrylpiperazine is sourced from PubChem (CID 1075122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).