1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine

C16H15Cl3N2O2S — CID 3708259

IUPAC1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H15Cl3N2O2S/c17-12-1-3-13(4-2-12)20-7-9-21(10-8-20)24(22,23)14-5-6-15(18)16(19)11-14/h1-6,11H,7-10H2
InChIKeyFHKUWSFSGGOBQU-UHFFFAOYSA-N
MW405.73 g/mol
LogP4.16
Rot. Bonds3

About 1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine

1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine (PubChem CID 3708259) has the molecular formula C16H15Cl3N2O2S and a molecular weight of 405.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
PubChem CID3708259
Molecular FormulaC16H15Cl3N2O2S
Molecular Weight405.73 g/mol
Exact Mass403.99
IUPAC Name1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H15Cl3N2O2S/c17-12-1-3-13(4-2-12)20-7-9-21(10-8-20)24(22,23)14-5-6-15(18)16(19)11-14/h1-6,11H,7-10H2
InChIKeyFHKUWSFSGGOBQU-UHFFFAOYSA-N
XLogP4.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.73
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine
CID 113076680
5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 53000984
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine
CID 113079298
1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 3756264
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
1-(4-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 60915587
1-[5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]-4-phenylpiperazine
CID 4215812
6-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 20858987
6-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydrochromen-2-one
CID 19132675
1-[6-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 26843190
1-(4-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine
CID 1178572
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 110295034

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine (CID 3708259) is 1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine?
The InChIKey is FHKUWSFSGGOBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N2O2S/c17-12-1-3-13(4-2-12)20-7-9-21(10-8-20)24(22,23)14-5-6-15(18)16(19)11-14/h1-6,11H,7-10H2.
What are the key properties of 1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine?
1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine has a molecular weight of 405.73 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 3708259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).