2-[[4-(3,5-dichlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxo-1,2-thiazolidine-3-carboxamide

C17H16Cl2N2O4S — CID 11373358

IUPAC2-[[4-(3,5-dichlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxo-1,2-thiazolidine-3-carboxamide
SMILESO=C(NO)C1CCS(=O)(=O)N1Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H16Cl2N2O4S/c18-14-7-13(8-15(19)9-14)12-3-1-11(2-4-12)10-21-16(17(22)20-23)5-6-26(21,24)25/h1-4,7-9,16,23H,5-6,10H2,(H,20,22)
InChIKeyLLVLFZAKVKFNSB-UHFFFAOYSA-N
MW415.30 g/mol
LogP3.07
Rot. Bonds4

About 2-[[4-(3,5-dichlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxo-1,2-thiazolidine-3-carboxamide

2-[[4-(3,5-dichlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxo-1,2-thiazolidine-3-carboxamide (PubChem CID 11373358) has the molecular formula C17H16Cl2N2O4S and a molecular weight of 415.30 g/mol. Its IUPAC name is 2-[[4-(3,5-dichlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxo-1,2-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-(3,5-dichlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxo-1,2-thiazolidine-3-carboxamide
PubChem CID11373358
Molecular FormulaC17H16Cl2N2O4S
Molecular Weight415.30 g/mol
Exact Mass414.02
IUPAC Name2-[[4-(3,5-dichlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxo-1,2-thiazolidine-3-carboxamide
SMILESO=C(NO)C1CCS(=O)(=O)N1Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H16Cl2N2O4S/c18-14-7-13(8-15(19)9-14)12-3-1-11(2-4-12)10-21-16(17(22)20-23)5-6-26(21,24)25/h1-4,7-9,16,23H,5-6,10H2,(H,20,22)
InChIKeyLLVLFZAKVKFNSB-UHFFFAOYSA-N
XLogP3.07
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.30
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[[4-(3,5-dichlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The IUPAC name of 2-[[4-(3,5-dichlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxo-1,2-thiazolidine-3-carboxamide (CID 11373358) is 2-[[4-(3,5-dichlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxo-1,2-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-[[4-(3,5-dichlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The canonical SMILES for 2-[[4-(3,5-dichlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxo-1,2-thiazolidine-3-carboxamide is O=C(NO)C1CCS(=O)(=O)N1Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 2-[[4-(3,5-dichlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The InChIKey is LLVLFZAKVKFNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O4S/c18-14-7-13(8-15(19)9-14)12-3-1-11(2-4-12)10-21-16(17(22)20-23)5-6-26(21,24)25/h1-4,7-9,16,23H,5-6,10H2,(H,20,22).
What are the key properties of 2-[[4-(3,5-dichlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
2-[[4-(3,5-dichlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxo-1,2-thiazolidine-3-carboxamide has a molecular weight of 415.30 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,5-dichlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxo-1,2-thiazolidine-3-carboxamide is sourced from PubChem (CID 11373358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).