1-(2-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine

C18H21ClN2O2S — CID 9391541

IUPAC1-(2-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C18H21ClN2O2S/c1-15-6-8-16(9-7-15)14-20-10-12-21(13-11-20)24(22,23)18-5-3-2-4-17(18)19/h2-9H,10-14H2,1H3
InChIKeyWKZOTCQLDVUHRG-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.15
Rot. Bonds4

About 1-(2-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine

1-(2-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine (PubChem CID 9391541) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine
PubChem CID9391541
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C18H21ClN2O2S/c1-15-6-8-16(9-7-15)14-20-10-12-21(13-11-20)24(22,23)18-5-3-2-4-17(18)19/h2-9H,10-14H2,1H3
InChIKeyWKZOTCQLDVUHRG-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-(2-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine (CID 9391541) is 1-(2-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine is Cc1ccc(CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine?
The InChIKey is WKZOTCQLDVUHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c1-15-6-8-16(9-7-15)14-20-10-12-21(13-11-20)24(22,23)18-5-3-2-4-17(18)19/h2-9H,10-14H2,1H3.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine?
1-(2-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine 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-(2-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine is sourced from PubChem (CID 9391541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).