2-hydroxy-3-[2-(trifluoromethylsulfonyl)anilino]propanamide

C10H11F3N2O4S — CID 107257686

IUPAC2-hydroxy-3-[2-(trifluoromethylsulfonyl)anilino]propanamide
SMILESNC(=O)C(O)CNc1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H11F3N2O4S/c11-10(12,13)20(18,19)8-4-2-1-3-6(8)15-5-7(16)9(14)17/h1-4,7,15-16H,5H2,(H2,14,17)
InChIKeyHJSKTFYVTYKSAW-UHFFFAOYSA-N
MW312.27 g/mol
LogP0.24
Rot. Bonds5

About 2-hydroxy-3-[2-(trifluoromethylsulfonyl)anilino]propanamide

2-hydroxy-3-[2-(trifluoromethylsulfonyl)anilino]propanamide (PubChem CID 107257686) has the molecular formula C10H11F3N2O4S and a molecular weight of 312.27 g/mol. Its IUPAC name is 2-hydroxy-3-[2-(trifluoromethylsulfonyl)anilino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[2-(trifluoromethylsulfonyl)anilino]propanamide
PubChem CID107257686
Molecular FormulaC10H11F3N2O4S
Molecular Weight312.27 g/mol
Exact Mass312.04
IUPAC Name2-hydroxy-3-[2-(trifluoromethylsulfonyl)anilino]propanamide
SMILESNC(=O)C(O)CNc1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H11F3N2O4S/c11-10(12,13)20(18,19)8-4-2-1-3-6(8)15-5-7(16)9(14)17/h1-4,7,15-16H,5H2,(H2,14,17)
InChIKeyHJSKTFYVTYKSAW-UHFFFAOYSA-N
XLogP0.24
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3-(2-sulfamoylanilino)propanamide
CID 106170840
(2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 93044584
1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 43427898
2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106170761
2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol
CID 61362995
3-[2-(trifluoromethylsulfonyl)anilino]propanamide
CID 43553664
N-(2-chloropropyl)-2-(trifluoromethylsulfonyl)aniline
CID 65027421
N-(2-chlorobutyl)-2-(trifluoromethylsulfonyl)aniline
CID 113492826
2-[2-(trifluoromethylsulfonyl)anilino]ethyl carbamate
CID 83205222
(3R)-3-[[2-(trifluoromethylsulfonyl)anilino]methyl]pentan-1-ol
CID 95975669
N-(3-chlorobutyl)-2-(trifluoromethylsulfonyl)aniline
CID 65028628
3-(cinnolin-4-ylamino)-2-hydroxypropanamide
CID 114153484

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[2-(trifluoromethylsulfonyl)anilino]propanamide?
The IUPAC name of 2-hydroxy-3-[2-(trifluoromethylsulfonyl)anilino]propanamide (CID 107257686) is 2-hydroxy-3-[2-(trifluoromethylsulfonyl)anilino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[2-(trifluoromethylsulfonyl)anilino]propanamide?
The canonical SMILES for 2-hydroxy-3-[2-(trifluoromethylsulfonyl)anilino]propanamide is NC(=O)C(O)CNc1ccccc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-hydroxy-3-[2-(trifluoromethylsulfonyl)anilino]propanamide?
The InChIKey is HJSKTFYVTYKSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4S/c11-10(12,13)20(18,19)8-4-2-1-3-6(8)15-5-7(16)9(14)17/h1-4,7,15-16H,5H2,(H2,14,17).
What are the key properties of 2-hydroxy-3-[2-(trifluoromethylsulfonyl)anilino]propanamide?
2-hydroxy-3-[2-(trifluoromethylsulfonyl)anilino]propanamide has a molecular weight of 312.27 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[2-(trifluoromethylsulfonyl)anilino]propanamide is sourced from PubChem (CID 107257686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).