(2S)-N,3-dihydroxy-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C10H11F3N2O5S — CID 87792222

IUPAC(2S)-N,3-dihydroxy-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESO=C(NO)[C@H](CO)NS(=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)15-8(5-16)9(17)14-18/h1-4,8,15-16,18H,5H2,(H,14,17)/t8-/m0/s1
InChIKeyQHBVWRDIBYCACT-QMMMGPOBSA-N
MW328.27 g/mol
LogP-0.15
Rot. Bonds5

About (2S)-N,3-dihydroxy-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide

(2S)-N,3-dihydroxy-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 87792222) has the molecular formula C10H11F3N2O5S and a molecular weight of 328.27 g/mol. Its IUPAC name is (2S)-N,3-dihydroxy-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N,3-dihydroxy-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID87792222
Molecular FormulaC10H11F3N2O5S
Molecular Weight328.27 g/mol
Exact Mass328.03
IUPAC Name(2S)-N,3-dihydroxy-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESO=C(NO)[C@H](CO)NS(=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)15-8(5-16)9(17)14-18/h1-4,8,15-16,18H,5H2,(H,14,17)/t8-/m0/s1
InChIKeyQHBVWRDIBYCACT-QMMMGPOBSA-N
XLogP-0.15
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,3-dihydroxy-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of (2S)-N,3-dihydroxy-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 87792222) is (2S)-N,3-dihydroxy-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N,3-dihydroxy-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for (2S)-N,3-dihydroxy-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide is O=C(NO)[C@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-N,3-dihydroxy-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is QHBVWRDIBYCACT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11F3N2O5S/c11-10(12,13)6-1-3-7(4-2-6)21(19,20)15-8(5-16)9(17)14-18/h1-4,8,15-16,18H,5H2,(H,14,17)/t8-/m0/s1.
What are the key properties of (2S)-N,3-dihydroxy-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
(2S)-N,3-dihydroxy-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 328.27 g/mol, XLogP of -0.15, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,3-dihydroxy-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 87792222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).