2-(5-methylfuran-2-yl)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol

C15H16F3NO4S — CID 133353165

IUPAC2-(5-methylfuran-2-yl)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
SMILESCc1ccc(C(C)(O)CNc2ccccc2S(=O)(=O)C(F)(F)F)o1
InChIInChI=1S/C15H16F3NO4S/c1-10-7-8-13(23-10)14(2,20)9-19-11-5-3-4-6-12(11)24(21,22)15(16,17)18/h3-8,19-20H,9H2,1-2H3
InChIKeyPIHDGORRDJPMPI-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.20
Rot. Bonds5

About 2-(5-methylfuran-2-yl)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol

2-(5-methylfuran-2-yl)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol (PubChem CID 133353165) has the molecular formula C15H16F3NO4S and a molecular weight of 363.36 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
PubChem CID133353165
Molecular FormulaC15H16F3NO4S
Molecular Weight363.36 g/mol
Exact Mass363.08
IUPAC Name2-(5-methylfuran-2-yl)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
SMILESCc1ccc(C(C)(O)CNc2ccccc2S(=O)(=O)C(F)(F)F)o1
InChIInChI=1S/C15H16F3NO4S/c1-10-7-8-13(23-10)14(2,20)9-19-11-5-3-4-6-12(11)24(21,22)15(16,17)18/h3-8,19-20H,9H2,1-2H3
InChIKeyPIHDGORRDJPMPI-UHFFFAOYSA-N
XLogP3.20
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-(trifluoromethyl)benzenesulfonamide
CID 133353067
N-(4-chloro-2,2-dimethylbutyl)-2-(trifluoromethylsulfonyl)aniline
CID 106141852
1-(2-chlorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472648
(2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 93044584
1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 43427898
N-(2-chloropropyl)-2-(trifluoromethylsulfonyl)aniline
CID 65027421
N-(cyclobutylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 43427667
N-(furan-2-ylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 43427556
N-(cyclohexylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 43427587
1-[2-(dimethylamino)phenyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111473604
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide
CID 71985002
2,3-dimethyl-3-[2-(trifluoromethylsulfonyl)anilino]butan-2-ol
CID 106185939

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol?
The IUPAC name of 2-(5-methylfuran-2-yl)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol (CID 133353165) is 2-(5-methylfuran-2-yl)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol?
The canonical SMILES for 2-(5-methylfuran-2-yl)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol is Cc1ccc(C(C)(O)CNc2ccccc2S(=O)(=O)C(F)(F)F)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol?
The InChIKey is PIHDGORRDJPMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO4S/c1-10-7-8-13(23-10)14(2,20)9-19-11-5-3-4-6-12(11)24(21,22)15(16,17)18/h3-8,19-20H,9H2,1-2H3.
What are the key properties of 2-(5-methylfuran-2-yl)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol?
2-(5-methylfuran-2-yl)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol has a molecular weight of 363.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol is sourced from PubChem (CID 133353165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).