1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine

C15H18ClFN4O2S — CID 120894952

IUPAC1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
SMILESCc1cc(S(=O)(=O)N2CCNCC2c2nccn2C)c(Cl)cc1F
InChIInChI=1S/C15H18ClFN4O2S/c1-10-7-14(11(16)8-12(10)17)24(22,23)21-6-3-18-9-13(21)15-19-4-5-20(15)2/h4-5,7-8,13,18H,3,6,9H2,1-2H3
InChIKeyDJLHEORDBWTICA-UHFFFAOYSA-N
MW372.85 g/mol
LogP1.86
Rot. Bonds3

About 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine

1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine (PubChem CID 120894952) has the molecular formula C15H18ClFN4O2S and a molecular weight of 372.85 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
PubChem CID120894952
Molecular FormulaC15H18ClFN4O2S
Molecular Weight372.85 g/mol
Exact Mass372.08
IUPAC Name1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
SMILESCc1cc(S(=O)(=O)N2CCNCC2c2nccn2C)c(Cl)cc1F
InChIInChI=1S/C15H18ClFN4O2S/c1-10-7-14(11(16)8-12(10)17)24(22,23)21-6-3-18-9-13(21)15-19-4-5-20(15)2/h4-5,7-8,13,18H,3,6,9H2,1-2H3
InChIKeyDJLHEORDBWTICA-UHFFFAOYSA-N
XLogP1.86
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(5-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894890
1-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894990
1-(2-chloro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120895074
1-(2-chlorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894581
1-(3-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895215
1-(2-chloro-6-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894364
1-(5-chloro-2-nitrophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894684
1-(2-chloro-6-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894363
1-(4,5-dimethoxy-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895103
2-(1-methylimidazol-2-yl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120894631

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine?
The IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine (CID 120894952) is 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine.
What is the SMILES notation for 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine?
The canonical SMILES for 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine is Cc1cc(S(=O)(=O)N2CCNCC2c2nccn2C)c(Cl)cc1F.
What is the InChIKey of 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine?
The InChIKey is DJLHEORDBWTICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4O2S/c1-10-7-14(11(16)8-12(10)17)24(22,23)21-6-3-18-9-13(21)15-19-4-5-20(15)2/h4-5,7-8,13,18H,3,6,9H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine?
1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine has a molecular weight of 372.85 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine is sourced from PubChem (CID 120894952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).