1-[4-(trifluoromethylsulfonyl)anilino]propan-2-ol

C10H12F3NO3S — CID 43427899

IUPAC1-[4-(trifluoromethylsulfonyl)anilino]propan-2-ol
SMILESCC(O)CNc1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO3S/c1-7(15)6-14-8-2-4-9(5-3-8)18(16,17)10(11,12)13/h2-5,7,14-15H,6H2,1H3
InChIKeyWOYXPXQYXKXKOY-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.77
Rot. Bonds4

About 1-[4-(trifluoromethylsulfonyl)anilino]propan-2-ol

1-[4-(trifluoromethylsulfonyl)anilino]propan-2-ol (PubChem CID 43427899) has the molecular formula C10H12F3NO3S and a molecular weight of 283.27 g/mol. Its IUPAC name is 1-[4-(trifluoromethylsulfonyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-[4-(trifluoromethylsulfonyl)anilino]propan-2-ol
PubChem CID43427899
Molecular FormulaC10H12F3NO3S
Molecular Weight283.27 g/mol
Exact Mass283.05
IUPAC Name1-[4-(trifluoromethylsulfonyl)anilino]propan-2-ol
SMILESCC(O)CNc1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO3S/c1-7(15)6-14-8-2-4-9(5-3-8)18(16,17)10(11,12)13/h2-5,7,14-15H,6H2,1H3
InChIKeyWOYXPXQYXKXKOY-UHFFFAOYSA-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

2-p-Sulfanilylanilinoethanol
CID 6622
(3S,4R)-3-hydroxy-4-(phenylamino)thiolane-1,1-dione
CID 2772257
4-Anilinotetrahydro-3-thiophenol 1,1-dioxide
CID 2818401
4-methanesulfonyl-N-(propan-2-yl)aniline
CID 28453403
N-ethyl-2-fluoro-4-methanesulfonylaniline
CID 91476749
Ethanol, 2-((4-(phenylthio)phenyl)amino)-
CID 3039689
2-Propanol, 1-(p-sulfanilylanilino)-
CID 3063463
N-methyl-4-trifluoromethanesulfonylaniline
CID 43427590
4-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline
CID 47046016
1-[4-(Difluoromethylsulfonyl)anilino]-2-methylbutan-2-ol
CID 63963191
3-[4-(4-Aminophenyl)sulfonylanilino]propan-1-ol
CID 156016744
2-[4-(Ethylamino)benzene-1-sulfonyl]ethan-1-ol
CID 46856333

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethylsulfonyl)anilino]propan-2-ol?
The IUPAC name of 1-[4-(trifluoromethylsulfonyl)anilino]propan-2-ol (CID 43427899) is 1-[4-(trifluoromethylsulfonyl)anilino]propan-2-ol.
What is the SMILES notation for 1-[4-(trifluoromethylsulfonyl)anilino]propan-2-ol?
The canonical SMILES for 1-[4-(trifluoromethylsulfonyl)anilino]propan-2-ol is CC(O)CNc1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(trifluoromethylsulfonyl)anilino]propan-2-ol?
The InChIKey is WOYXPXQYXKXKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3S/c1-7(15)6-14-8-2-4-9(5-3-8)18(16,17)10(11,12)13/h2-5,7,14-15H,6H2,1H3.
What are the key properties of 1-[4-(trifluoromethylsulfonyl)anilino]propan-2-ol?
1-[4-(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 1-[4-(trifluoromethylsulfonyl)anilino]propan-2-ol is sourced from PubChem (CID 43427899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).