1-phenyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine

C19H24N2O2S — CID 801706

IUPAC1-phenyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C)c1C
InChIInChI=1S/C19H24N2O2S/c1-15-9-10-19(17(3)16(15)2)24(22,23)21-13-11-20(12-14-21)18-7-5-4-6-8-18/h4-10H,11-14H2,1-3H3
InChIKeyGWOHQBFZGVHHCI-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.12
Rot. Bonds3

About 1-phenyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine

1-phenyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine (PubChem CID 801706) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-phenyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-phenyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine
PubChem CID801706
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-phenyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C)c1C
InChIInChI=1S/C19H24N2O2S/c1-15-9-10-19(17(3)16(15)2)24(22,23)21-13-11-20(12-14-21)18-7-5-4-6-8-18/h4-10H,11-14H2,1-3H3
InChIKeyGWOHQBFZGVHHCI-UHFFFAOYSA-N
XLogP3.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-phenyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine (CID 801706) is 1-phenyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-phenyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-phenyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C)c1C.
What is the InChIKey of 1-phenyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine?
The InChIKey is GWOHQBFZGVHHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15-9-10-19(17(3)16(15)2)24(22,23)21-13-11-20(12-14-21)18-7-5-4-6-8-18/h4-10H,11-14H2,1-3H3.
What are the key properties of 1-phenyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine?
1-phenyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine has a molecular weight of 344.48 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 801706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).