1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine

C17H20ClN3O2S — CID 27175600

IUPAC1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C17H20ClN3O2S/c18-15-4-6-17(7-5-15)24(22,23)21-13-11-20(12-14-21)10-8-16-3-1-2-9-19-16/h1-7,9H,8,10-14H2
InChIKeyRLNUADLYWDCHCC-UHFFFAOYSA-N
MW365.89 g/mol
LogP2.28
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine

1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine (PubChem CID 27175600) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine
PubChem CID27175600
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C17H20ClN3O2S/c18-15-4-6-17(7-5-15)24(22,23)21-13-11-20(12-14-21)10-8-16-3-1-2-9-19-16/h1-7,9H,8,10-14H2
InChIKeyRLNUADLYWDCHCC-UHFFFAOYSA-N
XLogP2.28
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine
CID 17408313
1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 113074605
1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 17413023
1-(benzenesulfonyl)-4-[2-(2,4-dichlorophenyl)ethyl]piperazine
CID 113075244
1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 167780338
1-(4-chloro-2-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 17413660
2-(2,4-dichlorophenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 19119293
1-[(2-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine
CID 1122511
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 46644063
1-(pyridin-2-ylmethyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 17461841
1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 154834810
oxalic acid;N-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 2901483

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine (CID 27175600) is 1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine is O=S(=O)(c1ccc(Cl)cc1)N1CCN(CCc2ccccn2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine?
The InChIKey is RLNUADLYWDCHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c18-15-4-6-17(7-5-15)24(22,23)21-13-11-20(12-14-21)10-8-16-3-1-2-9-19-16/h1-7,9H,8,10-14H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine?
1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine has a molecular weight of 365.89 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine is sourced from PubChem (CID 27175600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).