1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine

C20H24Cl2N2O2S — CID 22207951

IUPAC1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
SMILESCCCc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C20H24Cl2N2O2S/c1-2-3-16-4-7-18(8-5-16)27(25,26)24-12-10-23(11-13-24)15-17-6-9-19(21)20(22)14-17/h4-9,14H,2-3,10-13,15H2,1H3
InChIKeyRPJKDAVKDJHJSQ-UHFFFAOYSA-N
MW427.40 g/mol
LogP4.45
Rot. Bonds6

About 1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine

1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine (PubChem CID 22207951) has the molecular formula C20H24Cl2N2O2S and a molecular weight of 427.40 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
PubChem CID22207951
Molecular FormulaC20H24Cl2N2O2S
Molecular Weight427.40 g/mol
Exact Mass426.09
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
SMILESCCCc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C20H24Cl2N2O2S/c1-2-3-16-4-7-18(8-5-16)27(25,26)24-12-10-23(11-13-24)15-17-6-9-19(21)20(22)14-17/h4-9,14H,2-3,10-13,15H2,1H3
InChIKeyRPJKDAVKDJHJSQ-UHFFFAOYSA-N
XLogP4.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 55374342
1-benzyl-4-(4-propylphenyl)sulfonyl-1,4-diazepane
CID 3870068
1-[(3,4-dichlorophenyl)methyl]-4-methylsulfonylpiperazine
CID 4767728
1-[(3-chloro-4-fluorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
CID 22208104
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 22208447
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
CID 17378936
1-[(3,4-dichlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane
CID 6734614
1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 22208347
1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]sulfonylazepane
CID 31690530
3-propan-2-yl-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55525035
1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine
CID 4994124

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine (CID 22207951) is 1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine is CCCc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine?
The InChIKey is RPJKDAVKDJHJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O2S/c1-2-3-16-4-7-18(8-5-16)27(25,26)24-12-10-23(11-13-24)15-17-6-9-19(21)20(22)14-17/h4-9,14H,2-3,10-13,15H2,1H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine?
1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine has a molecular weight of 427.40 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine is sourced from PubChem (CID 22207951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).