1-[4-(2,3-dimethylphenyl)phenyl]-4-(2-methylphenyl)sulfonylpiperazine

C25H28N2O2S — CID 122651374

IUPAC1-[4-(2,3-dimethylphenyl)phenyl]-4-(2-methylphenyl)sulfonylpiperazine
SMILESCc1ccccc1S(=O)(=O)N1CCN(c2ccc(-c3cccc(C)c3C)cc2)CC1
InChIInChI=1S/C25H28N2O2S/c1-19-8-6-9-24(21(19)3)22-11-13-23(14-12-22)26-15-17-27(18-16-26)30(28,29)25-10-5-4-7-20(25)2/h4-14H,15-18H2,1-3H3
InChIKeyMQKFLOVSJJPFKW-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.79
Rot. Bonds4

About 1-[4-(2,3-dimethylphenyl)phenyl]-4-(2-methylphenyl)sulfonylpiperazine

1-[4-(2,3-dimethylphenyl)phenyl]-4-(2-methylphenyl)sulfonylpiperazine (PubChem CID 122651374) has the molecular formula C25H28N2O2S and a molecular weight of 420.58 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenyl)phenyl]-4-(2-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[4-(2,3-dimethylphenyl)phenyl]-4-(2-methylphenyl)sulfonylpiperazine
PubChem CID122651374
Molecular FormulaC25H28N2O2S
Molecular Weight420.58 g/mol
Exact Mass420.19
IUPAC Name1-[4-(2,3-dimethylphenyl)phenyl]-4-(2-methylphenyl)sulfonylpiperazine
SMILESCc1ccccc1S(=O)(=O)N1CCN(c2ccc(-c3cccc(C)c3C)cc2)CC1
InChIInChI=1S/C25H28N2O2S/c1-19-8-6-9-24(21(19)3)22-11-13-23(14-12-22)26-15-17-27(18-16-26)30(28,29)25-10-5-4-7-20(25)2/h4-14H,15-18H2,1-3H3
InChIKeyMQKFLOVSJJPFKW-UHFFFAOYSA-N
XLogP4.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)sulfonylaziridine
CID 22214975
1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077498
N,N-diethyl-4-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]aniline
CID 113078885
1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077373
1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
CID 11951648
1-methyl-5-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]-3H-indol-2-one
CID 110414865
1-(2-tert-butylphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113076530
6-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine
CID 46335399
1,3,5-tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane
CID 562883
[(9R,10S)-9-[4-(2,3-dimethylphenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanamine
CID 135209568
1-[4-(2-methylphenyl)phenyl]pyrrolidine
CID 168512930
1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 5012297

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylphenyl)phenyl]-4-(2-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-[4-(2,3-dimethylphenyl)phenyl]-4-(2-methylphenyl)sulfonylpiperazine (CID 122651374) is 1-[4-(2,3-dimethylphenyl)phenyl]-4-(2-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[4-(2,3-dimethylphenyl)phenyl]-4-(2-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-[4-(2,3-dimethylphenyl)phenyl]-4-(2-methylphenyl)sulfonylpiperazine is Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(-c3cccc(C)c3C)cc2)CC1.
What is the InChIKey of 1-[4-(2,3-dimethylphenyl)phenyl]-4-(2-methylphenyl)sulfonylpiperazine?
The InChIKey is MQKFLOVSJJPFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2S/c1-19-8-6-9-24(21(19)3)22-11-13-23(14-12-22)26-15-17-27(18-16-26)30(28,29)25-10-5-4-7-20(25)2/h4-14H,15-18H2,1-3H3.
What are the key properties of 1-[4-(2,3-dimethylphenyl)phenyl]-4-(2-methylphenyl)sulfonylpiperazine?
1-[4-(2,3-dimethylphenyl)phenyl]-4-(2-methylphenyl)sulfonylpiperazine has a molecular weight of 420.58 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylphenyl)phenyl]-4-(2-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 122651374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).