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

C10H11F3N2O5S — CID 87792221

IUPAC3-hydroxy-2-[hydroxy-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESNC(=O)C(CO)N(O)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O5S/c11-10(12,13)6-1-3-7(4-2-6)21(19,20)15(18)8(5-16)9(14)17/h1-4,8,16,18H,5H2,(H2,14,17)
InChIKeyQLCCLJLRLDDFLQ-UHFFFAOYSA-N
MW328.27 g/mol
LogP-0.07
Rot. Bonds5

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

3-hydroxy-2-[hydroxy-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 87792221) has the molecular formula C10H11F3N2O5S and a molecular weight of 328.27 g/mol. Its IUPAC name is 3-hydroxy-2-[hydroxy-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name3-hydroxy-2-[hydroxy-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID87792221
Molecular FormulaC10H11F3N2O5S
Molecular Weight328.27 g/mol
Exact Mass328.03
IUPAC Name3-hydroxy-2-[hydroxy-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESNC(=O)C(CO)N(O)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O5S/c11-10(12,13)6-1-3-7(4-2-6)21(19,20)15(18)8(5-16)9(14)17/h1-4,8,16,18H,5H2,(H2,14,17)
InChIKeyQLCCLJLRLDDFLQ-UHFFFAOYSA-N
XLogP-0.07
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[hydroxy-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of 3-hydroxy-2-[hydroxy-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 87792221) is 3-hydroxy-2-[hydroxy-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for 3-hydroxy-2-[hydroxy-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for 3-hydroxy-2-[hydroxy-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide is NC(=O)C(CO)N(O)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-hydroxy-2-[hydroxy-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is QLCCLJLRLDDFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O5S/c11-10(12,13)6-1-3-7(4-2-6)21(19,20)15(18)8(5-16)9(14)17/h1-4,8,16,18H,5H2,(H2,14,17).
What are the key properties of 3-hydroxy-2-[hydroxy-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
3-hydroxy-2-[hydroxy-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 328.27 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[hydroxy-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 87792221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).