1-[4-(4-chlorophenyl)sulfonyl-4-phenylbutyl]-4-phenylpiperazine

C26H29ClN2O2S — CID 22763786

IUPAC1-[4-(4-chlorophenyl)sulfonyl-4-phenylbutyl]-4-phenylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)C(CCCN1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H29ClN2O2S/c27-23-13-15-25(16-14-23)32(30,31)26(22-8-3-1-4-9-22)12-7-17-28-18-20-29(21-19-28)24-10-5-2-6-11-24/h1-6,8-11,13-16,26H,7,12,17-21H2
InChIKeyYPYQXZDRPHFIJV-UHFFFAOYSA-N
MW469.05 g/mol
LogP5.46
Rot. Bonds8

About 1-[4-(4-chlorophenyl)sulfonyl-4-phenylbutyl]-4-phenylpiperazine

1-[4-(4-chlorophenyl)sulfonyl-4-phenylbutyl]-4-phenylpiperazine (PubChem CID 22763786) has the molecular formula C26H29ClN2O2S and a molecular weight of 469.05 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)sulfonyl-4-phenylbutyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)sulfonyl-4-phenylbutyl]-4-phenylpiperazine
PubChem CID22763786
Molecular FormulaC26H29ClN2O2S
Molecular Weight469.05 g/mol
Exact Mass468.16
IUPAC Name1-[4-(4-chlorophenyl)sulfonyl-4-phenylbutyl]-4-phenylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)C(CCCN1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H29ClN2O2S/c27-23-13-15-25(16-14-23)32(30,31)26(22-8-3-1-4-9-22)12-7-17-28-18-20-29(21-19-28)24-10-5-2-6-11-24/h1-6,8-11,13-16,26H,7,12,17-21H2
InChIKeyYPYQXZDRPHFIJV-UHFFFAOYSA-N
XLogP5.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.05
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(benzenesulfonyl)-4-phenylbutyl]-4-[3-(trifluoromethyl)phenyl]piperazine;oxalic acid
CID 22763809
1-chloro-4-(5-methylsulfonyl-1-phenylpentyl)sulfonylbenzene
CID 23028576
[1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] formate
CID 141319663
1-[4-(benzenesulfonyl)-4-phenylbutyl]-4-(pyridin-4-ylmethyl)piperazine;tris((Z)-but-2-enedioic acid)
CID 86736100
1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
CID 59966261
[(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 68632305
(2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine
CID 9161767
1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-chlorophenyl)piperazine
CID 21048744
(2R)-1-(4-chlorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one
CID 92967009
1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430326
(Z)-but-2-enedioic acid;1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-4-phenylpiperazine
CID 6436567
1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
CID 7047121

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)sulfonyl-4-phenylbutyl]-4-phenylpiperazine?
The IUPAC name of 1-[4-(4-chlorophenyl)sulfonyl-4-phenylbutyl]-4-phenylpiperazine (CID 22763786) is 1-[4-(4-chlorophenyl)sulfonyl-4-phenylbutyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)sulfonyl-4-phenylbutyl]-4-phenylpiperazine?
The canonical SMILES for 1-[4-(4-chlorophenyl)sulfonyl-4-phenylbutyl]-4-phenylpiperazine is O=S(=O)(c1ccc(Cl)cc1)C(CCCN1CCN(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)sulfonyl-4-phenylbutyl]-4-phenylpiperazine?
The InChIKey is YPYQXZDRPHFIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O2S/c27-23-13-15-25(16-14-23)32(30,31)26(22-8-3-1-4-9-22)12-7-17-28-18-20-29(21-19-28)24-10-5-2-6-11-24/h1-6,8-11,13-16,26H,7,12,17-21H2.
What are the key properties of 1-[4-(4-chlorophenyl)sulfonyl-4-phenylbutyl]-4-phenylpiperazine?
1-[4-(4-chlorophenyl)sulfonyl-4-phenylbutyl]-4-phenylpiperazine has a molecular weight of 469.05 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)sulfonyl-4-phenylbutyl]-4-phenylpiperazine is sourced from PubChem (CID 22763786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).