5-chloro-2-[[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]amino]sulfanyl-N-hydroxybenzamide

C20H20ClFN4O4S — CID 145411153

IUPAC5-chloro-2-[[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]amino]sulfanyl-N-hydroxybenzamide
SMILESCc1ccc(F)c(C(C)C(NSc2ccc(Cl)cc2C(=O)NO)c2n[nH]c(=O)o2)c1C
InChIInChI=1S/C20H20ClFN4O4S/c1-9-4-6-14(22)16(10(9)2)11(3)17(19-23-24-20(28)30-19)26-31-15-7-5-12(21)8-13(15)18(27)25-29/h4-8,11,17,26,29H,1-3H3,(H,24,28)(H,25,27)
InChIKeyHBBBUWNZERNXLS-UHFFFAOYSA-N
MW466.92 g/mol
LogP4.03
Rot. Bonds7

About 5-chloro-2-[[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]amino]sulfanyl-N-hydroxybenzamide

5-chloro-2-[[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]amino]sulfanyl-N-hydroxybenzamide (PubChem CID 145411153) has the molecular formula C20H20ClFN4O4S and a molecular weight of 466.92 g/mol. Its IUPAC name is 5-chloro-2-[[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]amino]sulfanyl-N-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-2-[[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]amino]sulfanyl-N-hydroxybenzamide
PubChem CID145411153
Molecular FormulaC20H20ClFN4O4S
Molecular Weight466.92 g/mol
Exact Mass466.09
IUPAC Name5-chloro-2-[[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]amino]sulfanyl-N-hydroxybenzamide
SMILESCc1ccc(F)c(C(C)C(NSc2ccc(Cl)cc2C(=O)NO)c2n[nH]c(=O)o2)c1C
InChIInChI=1S/C20H20ClFN4O4S/c1-9-4-6-14(22)16(10(9)2)11(3)17(19-23-24-20(28)30-19)26-31-15-7-5-12(21)8-13(15)18(27)25-29/h4-8,11,17,26,29H,1-3H3,(H,24,28)(H,25,27)
InChIKeyHBBBUWNZERNXLS-UHFFFAOYSA-N
XLogP4.03
TPSA120.25 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.92
LogP ≤ 54.03
H-Bond Donors ≤ 54
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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-chloro-2-[[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]amino]sulfanyl-N-hydroxybenzamide with MolForge

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Related Compounds

CID 132203319
CID 132203319
CID 132203153
CID 132203153
CID 132203154
CID 132203154
CID 132203155
CID 132203155
CID 132203162
CID 132203162
CID 132203207
CID 132203207
CID 132203208
CID 132203208
CID 132203209
CID 132203209
CID 132203211
CID 132203211
CID 132203212
CID 132203212
CID 132203214
CID 132203214
CID 132203215
CID 132203215

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]amino]sulfanyl-N-hydroxybenzamide?
The IUPAC name of 5-chloro-2-[[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]amino]sulfanyl-N-hydroxybenzamide (CID 145411153) is 5-chloro-2-[[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]amino]sulfanyl-N-hydroxybenzamide.
What is the SMILES notation for 5-chloro-2-[[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]amino]sulfanyl-N-hydroxybenzamide?
The canonical SMILES for 5-chloro-2-[[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]amino]sulfanyl-N-hydroxybenzamide is Cc1ccc(F)c(C(C)C(NSc2ccc(Cl)cc2C(=O)NO)c2n[nH]c(=O)o2)c1C.
What is the InChIKey of 5-chloro-2-[[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]amino]sulfanyl-N-hydroxybenzamide?
The InChIKey is HBBBUWNZERNXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O4S/c1-9-4-6-14(22)16(10(9)2)11(3)17(19-23-24-20(28)30-19)26-31-15-7-5-12(21)8-13(15)18(27)25-29/h4-8,11,17,26,29H,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 5-chloro-2-[[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]amino]sulfanyl-N-hydroxybenzamide?
5-chloro-2-[[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]amino]sulfanyl-N-hydroxybenzamide has a molecular weight of 466.92 g/mol, XLogP of 4.03, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]amino]sulfanyl-N-hydroxybenzamide is sourced from PubChem (CID 145411153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).