(4R)-N-hydroxy-1-oxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide

C16H16N2O5S2 — CID 57384084

IUPAC(4R)-N-hydroxy-1-oxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
SMILESO=C(NO)[C@@H]1CS(=O)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16N2O5S2/c19-16(17-20)15-10-24(21)11-18(15)25(22,23)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)/t15-,24?/m0/s1
InChIKeyFYFJMQCWKQDEQR-FZADBTJQSA-N
MW380.45 g/mol
LogP0.94
Rot. Bonds4

About (4R)-N-hydroxy-1-oxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide

(4R)-N-hydroxy-1-oxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide (PubChem CID 57384084) has the molecular formula C16H16N2O5S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is (4R)-N-hydroxy-1-oxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-hydroxy-1-oxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
PubChem CID57384084
Molecular FormulaC16H16N2O5S2
Molecular Weight380.45 g/mol
Exact Mass380.05
IUPAC Name(4R)-N-hydroxy-1-oxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
SMILESO=C(NO)[C@@H]1CS(=O)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16N2O5S2/c19-16(17-20)15-10-24(21)11-18(15)25(22,23)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)/t15-,24?/m0/s1
InChIKeyFYFJMQCWKQDEQR-FZADBTJQSA-N
XLogP0.94
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 50.94
H-Bond Donors ≤ 52
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 (4R)-N-hydroxy-1-oxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-hydroxy-1-oxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide (CID 57384084) is (4R)-N-hydroxy-1-oxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-hydroxy-1-oxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-hydroxy-1-oxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide is O=C(NO)[C@@H]1CS(=O)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4R)-N-hydroxy-1-oxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is FYFJMQCWKQDEQR-FZADBTJQSA-N. The full InChI is InChI=1S/C16H16N2O5S2/c19-16(17-20)15-10-24(21)11-18(15)25(22,23)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)/t15-,24?/m0/s1.
What are the key properties of (4R)-N-hydroxy-1-oxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
(4R)-N-hydroxy-1-oxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-hydroxy-1-oxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 57384084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).