4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol

C10H11F3N2O4S — CID 166282118

IUPAC4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol
SMILESCC1(O)CON(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C10H11F3N2O4S/c1-9(16)5-15(19-6-9)20(17,18)8-3-2-7(4-14-8)10(11,12)13/h2-4,16H,5-6H2,1H3
InChIKeyPHDNXCPNOJDXRI-UHFFFAOYSA-N
MW312.27 g/mol
LogP0.79
Rot. Bonds2

About 4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol

4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol (PubChem CID 166282118) has the molecular formula C10H11F3N2O4S and a molecular weight of 312.27 g/mol. Its IUPAC name is 4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol.

Molecular Properties

Compound Name4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol
PubChem CID166282118
Molecular FormulaC10H11F3N2O4S
Molecular Weight312.27 g/mol
Exact Mass312.04
IUPAC Name4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol
SMILESCC1(O)CON(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C10H11F3N2O4S/c1-9(16)5-15(19-6-9)20(17,18)8-3-2-7(4-14-8)10(11,12)13/h2-4,16H,5-6H2,1H3
InChIKeyPHDNXCPNOJDXRI-UHFFFAOYSA-N
XLogP0.79
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-fluorophenyl)-3-methylazetidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine
CID 166317932
7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane
CID 166283904
5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride
CID 174615079
3-methyl-8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 167897899
8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-8-azaspiro[4.5]decane
CID 166281994
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanoic acid
CID 5101803
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetonitrile
CID 2820801
2-[(1-methylpyrazol-3-yl)methylsulfonyl]-5-(trifluoromethyl)pyridine
CID 167877569
methyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate
CID 2800689
1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one
CID 167979359
4-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 71850785
7,8-dichloro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-3,4-dihydro-1H-isoquinoline
CID 166317926

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol?
The IUPAC name of 4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol (CID 166282118) is 4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol.
What is the SMILES notation for 4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol?
The canonical SMILES for 4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol is CC1(O)CON(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol?
The InChIKey is PHDNXCPNOJDXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4S/c1-9(16)5-15(19-6-9)20(17,18)8-3-2-7(4-14-8)10(11,12)13/h2-4,16H,5-6H2,1H3.
What are the key properties of 4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol?
4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol has a molecular weight of 312.27 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol is sourced from PubChem (CID 166282118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).