1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine

C18H21ClN2O2S — CID 1148148

IUPAC1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H21ClN2O2S/c1-15-2-8-18(9-3-15)24(22,23)21-12-10-20(11-13-21)14-16-4-6-17(19)7-5-16/h2-9H,10-14H2,1H3
InChIKeyLGROXRPZBHHOPD-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.15
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine

1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 1148148) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID1148148
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H21ClN2O2S/c1-15-2-8-18(9-3-15)24(22,23)21-12-10-20(11-13-21)14-16-4-6-17(19)7-5-16/h2-9H,10-14H2,1H3
InChIKeyLGROXRPZBHHOPD-UHFFFAOYSA-N
XLogP3.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine (CID 1148148) is 1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is LGROXRPZBHHOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c1-15-2-8-18(9-3-15)24(22,23)21-12-10-20(11-13-21)14-16-4-6-17(19)7-5-16/h2-9H,10-14H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine?
1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 364.90 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 1148148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).