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

C21H28N2O2S — CID 2137790

IUPAC1-(2,3-dimethylphenyl)-4-(2,3,4-trimethylphenyl)sulfonylpiperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3C)CC2)c1C
InChIInChI=1S/C21H28N2O2S/c1-15-7-6-8-20(18(15)4)22-11-13-23(14-12-22)26(24,25)21-10-9-16(2)17(3)19(21)5/h6-10H,11-14H2,1-5H3
InChIKeyHKZXKVJASPGUJY-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.74
Rot. Bonds3

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

1-(2,3-dimethylphenyl)-4-(2,3,4-trimethylphenyl)sulfonylpiperazine (PubChem CID 2137790) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-(2,3,4-trimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-(2,3,4-trimethylphenyl)sulfonylpiperazine
PubChem CID2137790
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name1-(2,3-dimethylphenyl)-4-(2,3,4-trimethylphenyl)sulfonylpiperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3C)CC2)c1C
InChIInChI=1S/C21H28N2O2S/c1-15-7-6-8-20(18(15)4)22-11-13-23(14-12-22)26(24,25)21-10-9-16(2)17(3)19(21)5/h6-10H,11-14H2,1-5H3
InChIKeyHKZXKVJASPGUJY-UHFFFAOYSA-N
XLogP3.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-(2,3,4-trimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-(2,3,4-trimethylphenyl)sulfonylpiperazine (CID 2137790) is 1-(2,3-dimethylphenyl)-4-(2,3,4-trimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-(2,3,4-trimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-(2,3,4-trimethylphenyl)sulfonylpiperazine is Cc1cccc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3C)CC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-(2,3,4-trimethylphenyl)sulfonylpiperazine?
The InChIKey is HKZXKVJASPGUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-15-7-6-8-20(18(15)4)22-11-13-23(14-12-22)26(24,25)21-10-9-16(2)17(3)19(21)5/h6-10H,11-14H2,1-5H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-(2,3,4-trimethylphenyl)sulfonylpiperazine?
1-(2,3-dimethylphenyl)-4-(2,3,4-trimethylphenyl)sulfonylpiperazine has a molecular weight of 372.53 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-(2,3,4-trimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 2137790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).