4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-N-hydroxy-3-methoxy-N-methylbenzamide

C18H16FN3O5S2 — CID 167476420

IUPAC4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-N-hydroxy-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)O)ccc1NS(=O)(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN3O5S2/c1-22(24)18(23)12-5-8-14(15(9-12)27-2)21-29(25,26)16-10-28-17(20-16)11-3-6-13(19)7-4-11/h3-10,21,24H,1-2H3
InChIKeyJTYDJIKSKZLYRY-UHFFFAOYSA-N
MW437.47 g/mol
LogP3.22
Rot. Bonds6

About 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-N-hydroxy-3-methoxy-N-methylbenzamide

4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-N-hydroxy-3-methoxy-N-methylbenzamide (PubChem CID 167476420) has the molecular formula C18H16FN3O5S2 and a molecular weight of 437.47 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-N-hydroxy-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-N-hydroxy-3-methoxy-N-methylbenzamide
PubChem CID167476420
Molecular FormulaC18H16FN3O5S2
Molecular Weight437.47 g/mol
Exact Mass437.05
IUPAC Name4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-N-hydroxy-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)O)ccc1NS(=O)(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN3O5S2/c1-22(24)18(23)12-5-8-14(15(9-12)27-2)21-29(25,26)16-10-28-17(20-16)11-3-6-13(19)7-4-11/h3-10,21,24H,1-2H3
InChIKeyJTYDJIKSKZLYRY-UHFFFAOYSA-N
XLogP3.22
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.22
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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Related Compounds

4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-3-methoxy-N-methylsulfonylbenzamide
CID 167475461
2-(4-fluorophenyl)-N-[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]-1,3-thiazole-4-sulfonamide
CID 167476455
4-[[2-(2-fluoro-4-phenylphenyl)-1,3-thiazol-4-yl]sulfonylamino]-3-methoxybenzoic acid
CID 167476801
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methoxybenzoic acid
CID 168726509
5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 51131753
3-cyclopropyl-4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 167476003
N-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-sulfonamide
CID 167475542
3-methoxy-4-[[2-[4-[4-(trifluoromethoxy)cyclohexyl]phenyl]-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 167475499
4-[[2-(3-isocyanophenyl)-1,3-thiazol-4-yl]sulfonylamino]-3-methoxybenzoic acid
CID 168726500
2-fluoro-5-methoxy-4-[[2-(4-thiophen-2-ylphenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 167476080
3-methoxy-4-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 167476584
4-[[2-[7-(4,4-difluorocyclohexyl)naphthalen-2-yl]-1,3-thiazol-4-yl]sulfonylamino]-3-methoxybenzoic acid
CID 167476058

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-N-hydroxy-3-methoxy-N-methylbenzamide?
The IUPAC name of 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-N-hydroxy-3-methoxy-N-methylbenzamide (CID 167476420) is 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-N-hydroxy-3-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-N-hydroxy-3-methoxy-N-methylbenzamide?
The canonical SMILES for 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-N-hydroxy-3-methoxy-N-methylbenzamide is COc1cc(C(=O)N(C)O)ccc1NS(=O)(=O)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-N-hydroxy-3-methoxy-N-methylbenzamide?
The InChIKey is JTYDJIKSKZLYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O5S2/c1-22(24)18(23)12-5-8-14(15(9-12)27-2)21-29(25,26)16-10-28-17(20-16)11-3-6-13(19)7-4-11/h3-10,21,24H,1-2H3.
What are the key properties of 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-N-hydroxy-3-methoxy-N-methylbenzamide?
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-N-hydroxy-3-methoxy-N-methylbenzamide has a molecular weight of 437.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-N-hydroxy-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 167476420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).