2-benzyl-1-(4-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine

C24H25ClN2O2S — CID 67665365

IUPAC2-benzyl-1-(4-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)C(Cc3ccccc3)C2)cc1
InChIInChI=1S/C24H25ClN2O2S/c1-19-7-13-24(14-8-19)30(28,29)26-15-16-27(22-11-9-21(25)10-12-22)23(18-26)17-20-5-3-2-4-6-20/h2-14,23H,15-18H2,1H3
InChIKeyMZYWRPZVRWRFDK-UHFFFAOYSA-N
MW441.00 g/mol
LogP4.77
Rot. Bonds5

About 2-benzyl-1-(4-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine

2-benzyl-1-(4-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 67665365) has the molecular formula C24H25ClN2O2S and a molecular weight of 441.00 g/mol. Its IUPAC name is 2-benzyl-1-(4-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name2-benzyl-1-(4-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID67665365
Molecular FormulaC24H25ClN2O2S
Molecular Weight441.00 g/mol
Exact Mass440.13
IUPAC Name2-benzyl-1-(4-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)C(Cc3ccccc3)C2)cc1
InChIInChI=1S/C24H25ClN2O2S/c1-19-7-13-24(14-8-19)30(28,29)26-15-16-27(22-11-9-21(25)10-12-22)23(18-26)17-20-5-3-2-4-6-20/h2-14,23H,15-18H2,1H3
InChIKeyMZYWRPZVRWRFDK-UHFFFAOYSA-N
XLogP4.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.00
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-benzyl-1,4,7,10-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 124870685
4-(4-iodophenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine
CID 5154775
(2S,4S,5S)-2-benzyl-1-(4-methylphenyl)sulfonyl-5-prop-1-en-2-ylpiperidin-4-ol
CID 11589111
1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
CID 4755596
(3S,5R)-5-benzyl-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 11035300
2-[4-[(2S)-4-(5-aminothiophen-2-yl)sulfonyl-2-benzylpiperazin-1-yl]phenyl]propan-2-ol
CID 157138883
(2S,4S)-2-benzyl-1-(4-methylphenyl)sulfonyl-4-(1-phenylethenyl)azetidine
CID 15422060
3-[4-[(2S)-2-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
CID 126642100
1,1,1,3,3,3-hexafluoro-2-[4-[(2S)-2-[(4-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol;hydrochloride
CID 86670320
[4-(4-chlorophenyl)sulfonyl-1-phenylpiperazin-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 25185336
(2S)-2-[4-[(2S)-2-benzyl-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]-1,1,1-trifluoropropan-2-ol
CID 66582389
1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 1072237

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(4-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 2-benzyl-1-(4-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine (CID 67665365) is 2-benzyl-1-(4-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 2-benzyl-1-(4-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 2-benzyl-1-(4-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)C(Cc3ccccc3)C2)cc1.
What is the InChIKey of 2-benzyl-1-(4-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is MZYWRPZVRWRFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2S/c1-19-7-13-24(14-8-19)30(28,29)26-15-16-27(22-11-9-21(25)10-12-22)23(18-26)17-20-5-3-2-4-6-20/h2-14,23H,15-18H2,1H3.
What are the key properties of 2-benzyl-1-(4-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine?
2-benzyl-1-(4-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 441.00 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(4-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 67665365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).