2-hydroxy-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C10H11F3N2O4S — CID 107396859

IUPAC2-hydroxy-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESNC(=O)C(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O4S/c11-10(12,13)6-1-3-7(4-2-6)20(18,19)15-5-8(16)9(14)17/h1-4,8,15-16H,5H2,(H2,14,17)
InChIKeyGKPNAHKMQXNSFE-UHFFFAOYSA-N
MW312.27 g/mol
LogP-0.17
Rot. Bonds5

About 2-hydroxy-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide

2-hydroxy-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 107396859) has the molecular formula C10H11F3N2O4S and a molecular weight of 312.27 g/mol. Its IUPAC name is 2-hydroxy-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID107396859
Molecular FormulaC10H11F3N2O4S
Molecular Weight312.27 g/mol
Exact Mass312.04
IUPAC Name2-hydroxy-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESNC(=O)C(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O4S/c11-10(12,13)6-1-3-7(4-2-6)20(18,19)15-5-8(16)9(14)17/h1-4,8,15-16H,5H2,(H2,14,17)
InChIKeyGKPNAHKMQXNSFE-UHFFFAOYSA-N
XLogP-0.17
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminobutyl)-4-(trifluoromethyl)benzenesulfonamide
CID 55229724
N-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide
CID 115613428
3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106169276
N-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide
CID 90534845
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide
CID 107258346
5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 106168283
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90581968
N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 142170744
3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide
CID 106171016
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90534857
3-[(6-cyano-3-pyridinyl)sulfonylamino]-2-hydroxypropanamide
CID 114153229
2-hydroxy-3-[(3-nitrophenyl)sulfonylamino]propanamide
CID 106169538

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 107396859) is 2-hydroxy-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide is NC(=O)C(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-hydroxy-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is GKPNAHKMQXNSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4S/c11-10(12,13)6-1-3-7(4-2-6)20(18,19)15-5-8(16)9(14)17/h1-4,8,15-16H,5H2,(H2,14,17).
What are the key properties of 2-hydroxy-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
2-hydroxy-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 312.27 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 107396859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).