1-[(2,5-dichlorophenyl)methylsulfonyl]piperazine

C11H14Cl2N2O2S — CID 53415405

IUPAC1-[(2,5-dichlorophenyl)methylsulfonyl]piperazine
SMILESO=S(=O)(Cc1cc(Cl)ccc1Cl)N1CCNCC1
InChIInChI=1S/C11H14Cl2N2O2S/c12-10-1-2-11(13)9(7-10)8-18(16,17)15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2
InChIKeyCKVULWKXHSESCY-UHFFFAOYSA-N
MW309.22 g/mol
LogP1.73
Rot. Bonds3

About 1-[(2,5-dichlorophenyl)methylsulfonyl]piperazine

1-[(2,5-dichlorophenyl)methylsulfonyl]piperazine (PubChem CID 53415405) has the molecular formula C11H14Cl2N2O2S and a molecular weight of 309.22 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methylsulfonyl]piperazine.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methylsulfonyl]piperazine
PubChem CID53415405
Molecular FormulaC11H14Cl2N2O2S
Molecular Weight309.22 g/mol
Exact Mass308.02
IUPAC Name1-[(2,5-dichlorophenyl)methylsulfonyl]piperazine
SMILESO=S(=O)(Cc1cc(Cl)ccc1Cl)N1CCNCC1
InChIInChI=1S/C11H14Cl2N2O2S/c12-10-1-2-11(13)9(7-10)8-18(16,17)15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2
InChIKeyCKVULWKXHSESCY-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dichlorophenyl)methylsulfonyl]piperazine
CID 119961725
1-(2,5-dichlorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 116599238
5-chloro-1-methyl-2-piperazin-1-ylsulfonylindole;hydrochloride
CID 22628141
1-(6-chloronaphthalen-1-yl)sulfonylpiperazine
CID 54106854
1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 119961906
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 119961697
8-(piperazin-1-ylsulfonylmethyl)quinoline
CID 119961854
1-[3-(2,5-dichlorophenyl)propyl]-1,4-diazepane
CID 83931363
N-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide
CID 28775763
2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
CID 14964763
1-[1-[(2,4-dichlorophenyl)methylsulfonyl]pyrrolidin-3-yl]-2,5-dihydropyrrole
CID 75438945
methyl 2-(piperazin-1-ylsulfonylmethyl)benzoate
CID 119961744

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methylsulfonyl]piperazine?
The IUPAC name of 1-[(2,5-dichlorophenyl)methylsulfonyl]piperazine (CID 53415405) is 1-[(2,5-dichlorophenyl)methylsulfonyl]piperazine.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methylsulfonyl]piperazine?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methylsulfonyl]piperazine is O=S(=O)(Cc1cc(Cl)ccc1Cl)N1CCNCC1.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methylsulfonyl]piperazine?
The InChIKey is CKVULWKXHSESCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S/c12-10-1-2-11(13)9(7-10)8-18(16,17)15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2.
What are the key properties of 1-[(2,5-dichlorophenyl)methylsulfonyl]piperazine?
1-[(2,5-dichlorophenyl)methylsulfonyl]piperazine has a molecular weight of 309.22 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methylsulfonyl]piperazine is sourced from PubChem (CID 53415405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).