1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine

C20H26N2O2S — CID 1072237

IUPAC1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2O2S/c1-18-9-11-20(12-10-18)25(23,24)22-16-14-21(15-17-22)13-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12H,5,8,13-17H2,1H3
InChIKeyORWAJIREOYESDV-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.93
Rot. Bonds6

About 1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine

1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine (PubChem CID 1072237) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine
PubChem CID1072237
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2O2S/c1-18-9-11-20(12-10-18)25(23,24)22-16-14-21(15-17-22)13-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12H,5,8,13-17H2,1H3
InChIKeyORWAJIREOYESDV-UHFFFAOYSA-N
XLogP2.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377884
1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 110290651
1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 55439469
1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 113074757
4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butanenitrile
CID 8691903
1-methylsulfonyl-4-(3-phenylpropyl)piperazine;oxalic acid
CID 17365969
1-(benzenesulfonyl)-4-[3-(2-fluorophenyl)propyl]piperazine
CID 110602324
(2S)-2-benzyl-1,4,7,10-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 124870685
1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 8795286
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride
CID 18532110
1-(1-benzylpiperidin-4-yl)-4-(4-methylphenyl)sulfonylpiperazine
CID 655238

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine (CID 1072237) is 1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine is Cc1ccc(S(=O)(=O)N2CCN(CCCc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine?
The InChIKey is ORWAJIREOYESDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-18-9-11-20(12-10-18)25(23,24)22-16-14-21(15-17-22)13-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12H,5,8,13-17H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine?
1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine has a molecular weight of 358.51 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine is sourced from PubChem (CID 1072237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).