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

C16H22Cl2N2O2S — CID 23738911

IUPAC1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C16H22Cl2N2O2S/c17-15-7-6-14(12-16(15)18)23(21,22)20-10-8-19(9-11-20)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2
InChIKeyPEARSUVZMMHAIB-UHFFFAOYSA-N
MW377.34 g/mol
LogP3.63
Rot. Bonds3

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

1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine (PubChem CID 23738911) has the molecular formula C16H22Cl2N2O2S and a molecular weight of 377.34 g/mol. Its IUPAC name is 1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine
PubChem CID23738911
Molecular FormulaC16H22Cl2N2O2S
Molecular Weight377.34 g/mol
Exact Mass376.08
IUPAC Name1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C16H22Cl2N2O2S/c17-15-7-6-14(12-16(15)18)23(21,22)20-10-8-19(9-11-20)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2
InChIKeyPEARSUVZMMHAIB-UHFFFAOYSA-N
XLogP3.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine
CID 113073090
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CID 113074953
4-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 68554209
1-(3-chlorophenyl)sulfonyl-4-cyclopentylpiperazine;hydrochloride
CID 163331803
1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110708923
1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine
CID 113074976
1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 3540501
1-cycloheptyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 43816542
5-(4-cyclopentylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62369821
[2-chloro-4-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]methanol
CID 107090687
4-(4-cyclohexylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide
CID 1168545
[4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]methanamine
CID 154513056

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine (CID 23738911) is 1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine?
The InChIKey is PEARSUVZMMHAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2S/c17-15-7-6-14(12-16(15)18)23(21,22)20-10-8-19(9-11-20)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2.
What are the key properties of 1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine?
1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine has a molecular weight of 377.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 23738911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).