1-(4-butan-2-ylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine

C22H30N2O2S — CID 19682911

IUPAC1-(4-butan-2-ylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1
InChIInChI=1S/C22H30N2O2S/c1-5-17(2)20-9-11-21(12-10-20)27(25,26)24-15-13-23(14-16-24)22-8-6-7-18(3)19(22)4/h6-12,17H,5,13-16H2,1-4H3
InChIKeyUDJRBMXRWMIFOM-UHFFFAOYSA-N
MW386.56 g/mol
LogP4.33
Rot. Bonds5

About 1-(4-butan-2-ylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine

1-(4-butan-2-ylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine (PubChem CID 19682911) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
PubChem CID19682911
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name1-(4-butan-2-ylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1
InChIInChI=1S/C22H30N2O2S/c1-5-17(2)20-9-11-21(12-10-20)27(25,26)24-15-13-23(14-16-24)22-8-6-7-18(3)19(22)4/h6-12,17H,5,13-16H2,1-4H3
InChIKeyUDJRBMXRWMIFOM-UHFFFAOYSA-N
XLogP4.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide
CID 1168468
1-(2,3-dimethylphenyl)-4-(4-iodophenyl)sulfonylpiperazine
CID 3590123
1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 694818
1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 1344730
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 3436716
1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 43011160
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one
CID 110865706
1-(4-butan-2-ylphenyl)sulfonyl-4-(4-nitrophenyl)piperazine
CID 19682745
1-(2,3-dimethylphenyl)-4-(3-methylbutylsulfonyl)piperazine
CID 56549598
1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-butylsulfonylpiperazine
CID 27522527
1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 674120

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-(4-butan-2-ylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine (CID 19682911) is 1-(4-butan-2-ylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine is CCC(C)c1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The InChIKey is UDJRBMXRWMIFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-5-17(2)20-9-11-21(12-10-20)27(25,26)24-15-13-23(14-16-24)22-8-6-7-18(3)19(22)4/h6-12,17H,5,13-16H2,1-4H3.
What are the key properties of 1-(4-butan-2-ylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
1-(4-butan-2-ylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine has a molecular weight of 386.56 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 19682911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).