1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine

C17H20ClN3O2S — CID 3867558

IUPAC1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c(C)cc1Cl
InChIInChI=1S/C17H20ClN3O2S/c1-13-12-16(14(2)11-15(13)18)24(22,23)21-9-7-20(8-10-21)17-5-3-4-6-19-17/h3-6,11-12H,7-10H2,1-2H3
InChIKeyJGLSVMPZPVRRCA-UHFFFAOYSA-N
MW365.89 g/mol
LogP2.86
Rot. Bonds3

About 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine

1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine (PubChem CID 3867558) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
PubChem CID3867558
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c(C)cc1Cl
InChIInChI=1S/C17H20ClN3O2S/c1-13-12-16(14(2)11-15(13)18)24(22,23)21-9-7-20(8-10-21)17-5-3-4-6-19-17/h3-6,11-12H,7-10H2,1-2H3
InChIKeyJGLSVMPZPVRRCA-UHFFFAOYSA-N
XLogP2.86
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-Methylphenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 735815
Arylsulfonylpiperazine, 20
CID 44237024
Arylsulfonylpiperazine, 25
CID 44237028
4-Chloro-1-((4-(2-pyridyl)piperazinyl)sulfonyl)benzene
CID 785520
1-[(4-Chlorophenyl)sulfonyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 1484981
Arylsulfonylpiperazine, 22
CID 44237026
Arylsulfonylpiperazine, 24
CID 44237027
1-[(3,4-Dichlorophenyl)sulfonyl]-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 2741412
4-(2-Pyridyl)-1-((2,4,6-trimethylphenyl)sulfonyl)piperazine
CID 672997
1-[4-Chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-pyridin-2-ylpiperazine
CID 4001428
4-chloro-N-(2-pyridinyl)-1-naphthalenesulfonamide
CID 881482
1-(4-Fluoro-3-methyl-benzenesulfonyl)-4-pyridin-2-yl-piperazine
CID 6472019

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine (CID 3867558) is 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine is Cc1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c(C)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The InChIKey is JGLSVMPZPVRRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-13-12-16(14(2)11-15(13)18)24(22,23)21-9-7-20(8-10-21)17-5-3-4-6-19-17/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine has a molecular weight of 365.89 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 3867558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).