(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(3,4,5-trifluorophenyl)sulfonylpiperazine

C14H15F3N4O2S — CID 129339222

IUPAC(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(3,4,5-trifluorophenyl)sulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C14H15F3N4O2S/c1-20-4-5-21(8-12(20)14-18-2-3-19-14)24(22,23)9-6-10(15)13(17)11(16)7-9/h2-3,6-7,12H,4-5,8H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyVRJQUSLAPABEJY-GFCCVEGCSA-N
MW360.36 g/mol
LogP1.50
Rot. Bonds3

About (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(3,4,5-trifluorophenyl)sulfonylpiperazine

(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(3,4,5-trifluorophenyl)sulfonylpiperazine (PubChem CID 129339222) has the molecular formula C14H15F3N4O2S and a molecular weight of 360.36 g/mol. Its IUPAC name is (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(3,4,5-trifluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(3,4,5-trifluorophenyl)sulfonylpiperazine
PubChem CID129339222
Molecular FormulaC14H15F3N4O2S
Molecular Weight360.36 g/mol
Exact Mass360.09
IUPAC Name(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(3,4,5-trifluorophenyl)sulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C14H15F3N4O2S/c1-20-4-5-21(8-12(20)14-18-2-3-19-14)24(22,23)9-6-10(15)13(17)11(16)7-9/h2-3,6-7,12H,4-5,8H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyVRJQUSLAPABEJY-GFCCVEGCSA-N
XLogP1.50
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129004975
(2S)-4-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129329507
5-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 129337331
(2R)-2-(1H-imidazol-2-yl)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1-methylpiperazine
CID 129338185
2-fluoro-6-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]sulfonylbenzonitrile
CID 128992465
(2S)-4-(2-bromophenyl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129330517
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 129338621
(2S)-4-(1,2-dimethylimidazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129333291
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine
CID 129334414
4-(2-bromophenyl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 128996748
(2S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129330663
4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129001116

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(3,4,5-trifluorophenyl)sulfonylpiperazine?
The IUPAC name of (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(3,4,5-trifluorophenyl)sulfonylpiperazine (CID 129339222) is (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(3,4,5-trifluorophenyl)sulfonylpiperazine.
What is the SMILES notation for (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(3,4,5-trifluorophenyl)sulfonylpiperazine?
The canonical SMILES for (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(3,4,5-trifluorophenyl)sulfonylpiperazine is CN1CCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C[C@@H]1c1ncc[nH]1.
What is the InChIKey of (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(3,4,5-trifluorophenyl)sulfonylpiperazine?
The InChIKey is VRJQUSLAPABEJY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15F3N4O2S/c1-20-4-5-21(8-12(20)14-18-2-3-19-14)24(22,23)9-6-10(15)13(17)11(16)7-9/h2-3,6-7,12H,4-5,8H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(3,4,5-trifluorophenyl)sulfonylpiperazine?
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(3,4,5-trifluorophenyl)sulfonylpiperazine has a molecular weight of 360.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(3,4,5-trifluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 129339222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).