(2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol

C10H12F3NO3S — CID 93044584

IUPAC(2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
SMILESC[C@H](O)CNc1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H12F3NO3S/c1-7(15)6-14-8-4-2-3-5-9(8)18(16,17)10(11,12)13/h2-5,7,14-15H,6H2,1H3/t7-/m0/s1
InChIKeyIOSUMWJPEJORAD-ZETCQYMHSA-N
MW283.27 g/mol
LogP1.77
Rot. Bonds4

About (2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol

(2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol (PubChem CID 93044584) has the molecular formula C10H12F3NO3S and a molecular weight of 283.27 g/mol. Its IUPAC name is (2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
PubChem CID93044584
Molecular FormulaC10H12F3NO3S
Molecular Weight283.27 g/mol
Exact Mass283.05
IUPAC Name(2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
SMILESC[C@H](O)CNc1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H12F3NO3S/c1-7(15)6-14-8-4-2-3-5-9(8)18(16,17)10(11,12)13/h2-5,7,14-15H,6H2,1H3/t7-/m0/s1
InChIKeyIOSUMWJPEJORAD-ZETCQYMHSA-N
XLogP1.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 43427898
N-(2-chloropropyl)-2-(trifluoromethylsulfonyl)aniline
CID 65027421
2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol
CID 61362995
N-(2-chlorobutyl)-2-(trifluoromethylsulfonyl)aniline
CID 113492826
2-hydroxy-3-[2-(trifluoromethylsulfonyl)anilino]propanamide
CID 107257686
N-(3-chlorobutyl)-2-(trifluoromethylsulfonyl)aniline
CID 65028628
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500232
(3R)-3-[[2-(trifluoromethylsulfonyl)anilino]methyl]pentan-1-ol
CID 95975669
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
N,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 42958412
N-(4-chlorobutan-2-yl)-2-(trifluoromethylsulfonyl)aniline
CID 83187895
N-(1-chloro-3-methylbutan-2-yl)-2-(trifluoromethylsulfonyl)aniline
CID 79267286

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol?
The IUPAC name of (2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol (CID 93044584) is (2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol.
What is the SMILES notation for (2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol?
The canonical SMILES for (2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol is C[C@H](O)CNc1ccccc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of (2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol?
The InChIKey is IOSUMWJPEJORAD-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12F3NO3S/c1-7(15)6-14-8-4-2-3-5-9(8)18(16,17)10(11,12)13/h2-5,7,14-15H,6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol?
(2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol has a molecular weight of 283.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol is sourced from PubChem (CID 93044584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).