2,2,2-trifluoro-1-[(2R)-3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone

C15H19F3N2O3S — CID 7355228

IUPAC2,2,2-trifluoro-1-[(2R)-3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)C(F)(F)F)[C@H]2C(C)C)cc1
InChIInChI=1S/C15H19F3N2O3S/c1-10(2)13-19(14(21)15(16,17)18)8-9-20(13)24(22,23)12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3/t13-/m1/s1
InChIKeyCVMASGIPFKIXST-CYBMUJFWSA-N
MW364.39 g/mol
LogP2.37
Rot. Bonds3

About 2,2,2-trifluoro-1-[(2R)-3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone

2,2,2-trifluoro-1-[(2R)-3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone (PubChem CID 7355228) has the molecular formula C15H19F3N2O3S and a molecular weight of 364.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(2R)-3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(2R)-3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone
PubChem CID7355228
Molecular FormulaC15H19F3N2O3S
Molecular Weight364.39 g/mol
Exact Mass364.11
IUPAC Name2,2,2-trifluoro-1-[(2R)-3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)C(F)(F)F)[C@H]2C(C)C)cc1
InChIInChI=1S/C15H19F3N2O3S/c1-10(2)13-19(14(21)15(16,17)18)8-9-20(13)24(22,23)12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3/t13-/m1/s1
InChIKeyCVMASGIPFKIXST-CYBMUJFWSA-N
XLogP2.37
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethylidene]benzenesulfonamide
CID 2914583
1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 3367402
2,2,2-trifluoro-1-[(2R)-3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-diazinan-1-yl]ethanone
CID 7355221
4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-diazinan-1-yl]ethylidene]benzenesulfonamide
CID 4108930
1-[(2S)-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-diazinan-1-yl]-2-morpholin-4-ylethanone
CID 7332979
(NZ)-N-[1-[3-(benzenesulfonyl)-2-propan-2-ylimidazolidin-1-yl]-2-pyrrolidin-1-ylethylidene]-4-methylbenzenesulfonamide
CID 6043418
N-[2-(benzylamino)-1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethylidene]-4-methylbenzenesulfonamide
CID 71831054
1-(4-methylphenyl)sulfonyl-2-(1,1,1-trifluoropropan-2-yl)aziridine
CID 155605857
2,5-bis-(4-methylphenyl)sulfonyl-2,5-diazabicyclo[4.1.0]heptane
CID 13108226
(2R)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine
CID 11448470
4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine
CID 17371171
(4aS,8aS)-5,8-bis-(4-methylphenyl)sulfonyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b]pyrazine
CID 6979389

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(2R)-3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(2R)-3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone (CID 7355228) is 2,2,2-trifluoro-1-[(2R)-3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(2R)-3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(2R)-3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(F)(F)F)[C@H]2C(C)C)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-[(2R)-3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone?
The InChIKey is CVMASGIPFKIXST-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19F3N2O3S/c1-10(2)13-19(14(21)15(16,17)18)8-9-20(13)24(22,23)12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3/t13-/m1/s1.
What are the key properties of 2,2,2-trifluoro-1-[(2R)-3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone?
2,2,2-trifluoro-1-[(2R)-3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone has a molecular weight of 364.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(2R)-3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone is sourced from PubChem (CID 7355228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).