1-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine

C14H16ClFN4O2S — CID 120894990

IUPAC1-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
SMILESCn1ccnc1C1CNCCN1S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C14H16ClFN4O2S/c1-19-6-5-18-14(19)12-9-17-4-7-20(12)23(21,22)13-3-2-10(15)8-11(13)16/h2-3,5-6,8,12,17H,4,7,9H2,1H3
InChIKeyGEQQMGAPLYNGJP-UHFFFAOYSA-N
MW358.83 g/mol
LogP1.55
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine

1-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine (PubChem CID 120894990) has the molecular formula C14H16ClFN4O2S and a molecular weight of 358.83 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
PubChem CID120894990
Molecular FormulaC14H16ClFN4O2S
Molecular Weight358.83 g/mol
Exact Mass358.07
IUPAC Name1-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
SMILESCn1ccnc1C1CNCCN1S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C14H16ClFN4O2S/c1-19-6-5-18-14(19)12-9-17-4-7-20(12)23(21,22)13-3-2-10(15)8-11(13)16/h2-3,5-6,8,12,17H,4,7,9H2,1H3
InChIKeyGEQQMGAPLYNGJP-UHFFFAOYSA-N
XLogP1.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894890
1-(5-chloro-2-nitrophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894684
1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894952
1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894344
1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894343
1-(2-chloro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120895074
1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894696
1-(2-chlorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894581
methyl 4-chloro-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylbenzoate;hydrochloride
CID 120894717
1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895101
1-(2-chloro-6-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894364
1-(3-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895215

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine (CID 120894990) is 1-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine is Cn1ccnc1C1CNCCN1S(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine?
The InChIKey is GEQQMGAPLYNGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4O2S/c1-19-6-5-18-14(19)12-9-17-4-7-20(12)23(21,22)13-3-2-10(15)8-11(13)16/h2-3,5-6,8,12,17H,4,7,9H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine?
1-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine has a molecular weight of 358.83 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine is sourced from PubChem (CID 120894990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).