1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine

C17H18Cl2N2O2S — CID 9391386

IUPAC1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H18Cl2N2O2S/c18-15-5-3-4-14(12-15)13-20-8-10-21(11-9-20)24(22,23)17-7-2-1-6-16(17)19/h1-7,12H,8-11,13H2
InChIKeyNZURVGNRJLBXCT-UHFFFAOYSA-N
MW385.32 g/mol
LogP3.50
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine

1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine (PubChem CID 9391386) has the molecular formula C17H18Cl2N2O2S and a molecular weight of 385.32 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
PubChem CID9391386
Molecular FormulaC17H18Cl2N2O2S
Molecular Weight385.32 g/mol
Exact Mass384.05
IUPAC Name1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H18Cl2N2O2S/c18-15-5-3-4-14(12-15)13-20-8-10-21(11-9-20)24(22,23)17-7-2-1-6-16(17)19/h1-7,12H,8-11,13H2
InChIKeyNZURVGNRJLBXCT-UHFFFAOYSA-N
XLogP3.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 1364863
1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride
CID 2729556
1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
CID 17378936
1-[(3-chlorophenyl)methyl]-4-(4-methoxy-2-methylphenyl)sulfonylpiperazine
CID 110399108
4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile
CID 32717171
1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 4849534
1-[(3-chlorophenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine
CID 1343020
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
CID 9184964
1-[(3-chlorophenyl)methyl]-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 8746856
1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 38748587
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-chlorophenyl)methyl]piperazine
CID 55907011

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine (CID 9391386) is 1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine is O=S(=O)(c1ccccc1Cl)N1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine?
The InChIKey is NZURVGNRJLBXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2S/c18-15-5-3-4-14(12-15)13-20-8-10-21(11-9-20)24(22,23)17-7-2-1-6-16(17)19/h1-7,12H,8-11,13H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine?
1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine has a molecular weight of 385.32 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 9391386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).