(4R)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1,1-dioxo-1,3-thiazolidine-4-carboxamide

C16H15ClN2O7S2 — CID 57403564

IUPAC(4R)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1,1-dioxo-1,3-thiazolidine-4-carboxamide
SMILESO=C(NO)[C@@H]1CS(=O)(=O)CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O7S2/c17-11-1-3-12(4-2-11)26-13-5-7-14(8-6-13)28(24,25)19-10-27(22,23)9-15(19)16(20)18-21/h1-8,15,21H,9-10H2,(H,18,20)/t15-/m0/s1
InChIKeyLXQUQEBAZBLBEJ-HNNXBMFYSA-N
MW446.89 g/mol
LogP1.38
Rot. Bonds5

About (4R)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1,1-dioxo-1,3-thiazolidine-4-carboxamide

(4R)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1,1-dioxo-1,3-thiazolidine-4-carboxamide (PubChem CID 57403564) has the molecular formula C16H15ClN2O7S2 and a molecular weight of 446.89 g/mol. Its IUPAC name is (4R)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1,1-dioxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1,1-dioxo-1,3-thiazolidine-4-carboxamide
PubChem CID57403564
Molecular FormulaC16H15ClN2O7S2
Molecular Weight446.89 g/mol
Exact Mass446.00
IUPAC Name(4R)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1,1-dioxo-1,3-thiazolidine-4-carboxamide
SMILESO=C(NO)[C@@H]1CS(=O)(=O)CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O7S2/c17-11-1-3-12(4-2-11)26-13-5-7-14(8-6-13)28(24,25)19-10-27(22,23)9-15(19)16(20)18-21/h1-8,15,21H,9-10H2,(H,18,20)/t15-/m0/s1
InChIKeyLXQUQEBAZBLBEJ-HNNXBMFYSA-N
XLogP1.38
TPSA130.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1,1-dioxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1,1-dioxo-1,3-thiazolidine-4-carboxamide (CID 57403564) is (4R)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1,1-dioxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1,1-dioxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1,1-dioxo-1,3-thiazolidine-4-carboxamide is O=C(NO)[C@@H]1CS(=O)(=O)CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of (4R)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1,1-dioxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is LXQUQEBAZBLBEJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15ClN2O7S2/c17-11-1-3-12(4-2-11)26-13-5-7-14(8-6-13)28(24,25)19-10-27(22,23)9-15(19)16(20)18-21/h1-8,15,21H,9-10H2,(H,18,20)/t15-/m0/s1.
What are the key properties of (4R)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1,1-dioxo-1,3-thiazolidine-4-carboxamide?
(4R)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1,1-dioxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 446.89 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1,1-dioxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 57403564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).