1-(dichloromethylsulfonyl)-4-phenylpiperazine

C11H14Cl2N2O2S — CID 10470565

IUPAC1-(dichloromethylsulfonyl)-4-phenylpiperazine
SMILESO=S(=O)(C(Cl)Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C11H14Cl2N2O2S/c12-11(13)18(16,17)15-8-6-14(7-9-15)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyCUWBCQARHBGTII-UHFFFAOYSA-N
MW309.22 g/mol
LogP1.90
Rot. Bonds3

About 1-(dichloromethylsulfonyl)-4-phenylpiperazine

1-(dichloromethylsulfonyl)-4-phenylpiperazine (PubChem CID 10470565) has the molecular formula C11H14Cl2N2O2S and a molecular weight of 309.22 g/mol. Its IUPAC name is 1-(dichloromethylsulfonyl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(dichloromethylsulfonyl)-4-phenylpiperazine
PubChem CID10470565
Molecular FormulaC11H14Cl2N2O2S
Molecular Weight309.22 g/mol
Exact Mass308.02
IUPAC Name1-(dichloromethylsulfonyl)-4-phenylpiperazine
SMILESO=S(=O)(C(Cl)Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C11H14Cl2N2O2S/c12-11(13)18(16,17)15-8-6-14(7-9-15)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyCUWBCQARHBGTII-UHFFFAOYSA-N
XLogP1.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
CID 11951648
1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine
CID 138529969
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
1-phenyl-4-(2-phenylethenylsulfonyl)piperazine
CID 877215
2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide
CID 44961224
1-(1-adamantylsulfonyl)-4-phenylpiperazine
CID 4918905
1-(8-chloronaphthalen-1-yl)sulfonyl-4-phenylpiperazine
CID 3836350
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine
CID 110295033
2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropanoic acid
CID 61454191
1-fluoro-4-phenylpiperazine
CID 23450926
1-phenyl-4-pyrrolidin-3-ylsulfonylpiperazine
CID 65421339
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 1166947

Frequently Asked Questions

What is the IUPAC name of 1-(dichloromethylsulfonyl)-4-phenylpiperazine?
The IUPAC name of 1-(dichloromethylsulfonyl)-4-phenylpiperazine (CID 10470565) is 1-(dichloromethylsulfonyl)-4-phenylpiperazine.
What is the SMILES notation for 1-(dichloromethylsulfonyl)-4-phenylpiperazine?
The canonical SMILES for 1-(dichloromethylsulfonyl)-4-phenylpiperazine is O=S(=O)(C(Cl)Cl)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(dichloromethylsulfonyl)-4-phenylpiperazine?
The InChIKey is CUWBCQARHBGTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S/c12-11(13)18(16,17)15-8-6-14(7-9-15)10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of 1-(dichloromethylsulfonyl)-4-phenylpiperazine?
1-(dichloromethylsulfonyl)-4-phenylpiperazine has a molecular weight of 309.22 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethylsulfonyl)-4-phenylpiperazine is sourced from PubChem (CID 10470565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).