1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-chlorophenyl)piperazine

C23H29ClN2O2S — CID 21048744

IUPAC1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-chlorophenyl)piperazine
SMILESO=S(=O)(c1ccccc1)C1(CCCN2CCN(c3ccc(Cl)cc3)CC2)CCC1
InChIInChI=1S/C23H29ClN2O2S/c24-20-8-10-21(11-9-20)26-18-16-25(17-19-26)15-5-14-23(12-4-13-23)29(27,28)22-6-2-1-3-7-22/h1-3,6-11H,4-5,12-19H2
InChIKeyJCOVMJAQKRWFIO-UHFFFAOYSA-N
MW433.02 g/mol
LogP4.64
Rot. Bonds7

About 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-chlorophenyl)piperazine

1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-chlorophenyl)piperazine (PubChem CID 21048744) has the molecular formula C23H29ClN2O2S and a molecular weight of 433.02 g/mol. Its IUPAC name is 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-chlorophenyl)piperazine
PubChem CID21048744
Molecular FormulaC23H29ClN2O2S
Molecular Weight433.02 g/mol
Exact Mass432.16
IUPAC Name1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-chlorophenyl)piperazine
SMILESO=S(=O)(c1ccccc1)C1(CCCN2CCN(c3ccc(Cl)cc3)CC2)CCC1
InChIInChI=1S/C23H29ClN2O2S/c24-20-8-10-21(11-9-20)26-18-16-25(17-19-26)15-5-14-23(12-4-13-23)29(27,28)22-6-2-1-3-7-22/h1-3,6-11H,4-5,12-19H2
InChIKeyJCOVMJAQKRWFIO-UHFFFAOYSA-N
XLogP4.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.02
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-methylphenyl)piperazine
CID 21048764
1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(3-methoxyphenyl)piperazine
CID 21048741
2-[4-[1-(benzenesulfonyl)cyclobutyl]butyl]-3,4-dihydro-1H-isoquinoline
CID 21048858
1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 55634206
1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
CID 79843810
1-[4-(4-chlorophenyl)sulfonyl-4-phenylbutyl]-4-phenylpiperazine
CID 22763786
2-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 21048890
[1-[3-[1-(3-methylphenyl)sulfonylcyclobutyl]propyl]piperidin-4-yl]-phenylmethanone
CID 21048775
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide
CID 173255445
1-(3-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]methanesulfonamide
CID 42388921
1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430326
1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
CID 59966261

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-chlorophenyl)piperazine?
The IUPAC name of 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-chlorophenyl)piperazine (CID 21048744) is 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-chlorophenyl)piperazine.
What is the SMILES notation for 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-chlorophenyl)piperazine?
The canonical SMILES for 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-chlorophenyl)piperazine is O=S(=O)(c1ccccc1)C1(CCCN2CCN(c3ccc(Cl)cc3)CC2)CCC1.
What is the InChIKey of 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-chlorophenyl)piperazine?
The InChIKey is JCOVMJAQKRWFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O2S/c24-20-8-10-21(11-9-20)26-18-16-25(17-19-26)15-5-14-23(12-4-13-23)29(27,28)22-6-2-1-3-7-22/h1-3,6-11H,4-5,12-19H2.
What are the key properties of 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-chlorophenyl)piperazine?
1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-chlorophenyl)piperazine has a molecular weight of 433.02 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-chlorophenyl)piperazine is sourced from PubChem (CID 21048744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).