(2R)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine

C10H10F3NO2S — CID 11448470

IUPAC(2R)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine
SMILESCc1ccc(S(=O)(=O)N2C[C@@H]2C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2S/c1-7-2-4-8(5-3-7)17(15,16)14-6-9(14)10(11,12)13/h2-5,9H,6H2,1H3/t9-,14?/m1/s1
InChIKeyOCDVSJGBBHWGPE-UCWRFOARSA-N
MW265.26 g/mol
LogP1.93
Rot. Bonds2

About (2R)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine

(2R)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine (PubChem CID 11448470) has the molecular formula C10H10F3NO2S and a molecular weight of 265.26 g/mol. Its IUPAC name is (2R)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine.

Molecular Properties

Compound Name(2R)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine
PubChem CID11448470
Molecular FormulaC10H10F3NO2S
Molecular Weight265.26 g/mol
Exact Mass265.04
IUPAC Name(2R)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine
SMILESCc1ccc(S(=O)(=O)N2C[C@@H]2C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2S/c1-7-2-4-8(5-3-7)17(15,16)14-6-9(14)10(11,12)13/h2-5,9H,6H2,1H3/t9-,14?/m1/s1
InChIKeyOCDVSJGBBHWGPE-UCWRFOARSA-N
XLogP1.93
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(2-iodopropan-2-yl)-1-(4-methylphenyl)sulfonylaziridine
CID 10690177
1-(4-methylphenyl)sulfonyl-2-(1,1,1-trifluoropropan-2-yl)aziridine
CID 155605857
[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 15202390
2,5-bis-(4-methylphenyl)sulfonyl-2,5-diazabicyclo[4.1.0]heptane
CID 13108226
1-(4-methylphenyl)sulfonylaziridine-2-carbonitrile
CID 10799049
(2R)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 101342795
1-(4-methylphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]aziridine
CID 59485705
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
(2S,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,5-bis(2-methylpropyl)piperazine
CID 162409644
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
7-(4-methylphenyl)sulfonyl-2,3-bis(trifluoromethyl)-7-azabicyclo[2.2.1]hepta-2,5-diene
CID 134869418
[2-(trifluoromethyl)azetidin-1-yl] 4-methylbenzenesulfonate
CID 169410124

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine?
The IUPAC name of (2R)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine (CID 11448470) is (2R)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine.
What is the SMILES notation for (2R)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine?
The canonical SMILES for (2R)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine is Cc1ccc(S(=O)(=O)N2C[C@@H]2C(F)(F)F)cc1.
What is the InChIKey of (2R)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine?
The InChIKey is OCDVSJGBBHWGPE-UCWRFOARSA-N. The full InChI is InChI=1S/C10H10F3NO2S/c1-7-2-4-8(5-3-7)17(15,16)14-6-9(14)10(11,12)13/h2-5,9H,6H2,1H3/t9-,14?/m1/s1.
What are the key properties of (2R)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine?
(2R)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine has a molecular weight of 265.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine is sourced from PubChem (CID 11448470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).