1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine

C19H25N3O2S — CID 17408313

IUPAC1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(CCc3ccccn3)CC2)c(C)c1
InChIInChI=1S/C19H25N3O2S/c1-16-6-7-19(17(2)15-16)25(23,24)22-13-11-21(12-14-22)10-8-18-5-3-4-9-20-18/h3-7,9,15H,8,10-14H2,1-2H3
InChIKeyHDUOXTOLHDRTBR-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.25
Rot. Bonds5

About 1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine

1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine (PubChem CID 17408313) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine
PubChem CID17408313
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(CCc3ccccn3)CC2)c(C)c1
InChIInChI=1S/C19H25N3O2S/c1-16-6-7-19(17(2)15-16)25(23,24)22-13-11-21(12-14-22)10-8-18-5-3-4-9-20-18/h3-7,9,15H,8,10-14H2,1-2H3
InChIKeyHDUOXTOLHDRTBR-UHFFFAOYSA-N
XLogP2.25
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-indole
CID 113074456
1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine
CID 27175600
3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylpropan-1-one
CID 110398656
1-(2,4-dimethylphenyl)sulfonyl-4-[2-(3-methoxyphenyl)ethyl]piperazine
CID 110412373
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetonitrile
CID 28705351
2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine
CID 50830739
[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 31951631
3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 90571985
1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 6465958
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799630
N,4-dimethyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzenesulfonamide
CID 47090107

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine (CID 17408313) is 1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine is Cc1ccc(S(=O)(=O)N2CCN(CCc3ccccn3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine?
The InChIKey is HDUOXTOLHDRTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-16-6-7-19(17(2)15-16)25(23,24)22-13-11-21(12-14-22)10-8-18-5-3-4-9-20-18/h3-7,9,15H,8,10-14H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine?
1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine has a molecular weight of 359.50 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine is sourced from PubChem (CID 17408313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).