1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine

C14H16F2N4O2S — CID 120894696

IUPAC1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
SMILESCn1ccnc1C1CNCCN1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N4O2S/c1-19-6-5-18-14(19)13-9-17-4-7-20(13)23(21,22)10-2-3-11(15)12(16)8-10/h2-3,5-6,8,13,17H,4,7,9H2,1H3
InChIKeyTYAHGBLNRWEFQJ-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.03
Rot. Bonds3

About 1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine

1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine (PubChem CID 120894696) has the molecular formula C14H16F2N4O2S and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
PubChem CID120894696
Molecular FormulaC14H16F2N4O2S
Molecular Weight342.37 g/mol
Exact Mass342.10
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
SMILESCn1ccnc1C1CNCCN1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N4O2S/c1-19-6-5-18-14(19)13-9-17-4-7-20(13)23(21,22)10-2-3-11(15)12(16)8-10/h2-3,5-6,8,13,17H,4,7,9H2,1H3
InChIKeyTYAHGBLNRWEFQJ-UHFFFAOYSA-N
XLogP1.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894875
1-(3-bromo-4-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894630
1-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894990
1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894523
1-(4-ethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895239
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 120894798
1-(4-ethoxyphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894665
1-[4-(2,2-difluoroethoxy)phenyl]sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894653
2-chloro-5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylbenzonitrile;hydrochloride
CID 120895229
6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 120894588
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine (CID 120894696) is 1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine is Cn1ccnc1C1CNCCN1S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine?
The InChIKey is TYAHGBLNRWEFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2S/c1-19-6-5-18-14(19)13-9-17-4-7-20(13)23(21,22)10-2-3-11(15)12(16)8-10/h2-3,5-6,8,13,17H,4,7,9H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine?
1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine has a molecular weight of 342.37 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine is sourced from PubChem (CID 120894696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).