methyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methylbenzoate

C18H15FN2O4S2 — CID 167475762

IUPACmethyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methylbenzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2csc(-c3ccc(F)cc3)n2)cc1C
InChIInChI=1S/C18H15FN2O4S2/c1-11-9-14(7-8-15(11)18(22)25-2)21-27(23,24)16-10-26-17(20-16)12-3-5-13(19)6-4-12/h3-10,21H,1-2H3
InChIKeyOQHZXVRATYPEHJ-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.85
Rot. Bonds5

About methyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methylbenzoate

methyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methylbenzoate (PubChem CID 167475762) has the molecular formula C18H15FN2O4S2 and a molecular weight of 406.46 g/mol. Its IUPAC name is methyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methylbenzoate
PubChem CID167475762
Molecular FormulaC18H15FN2O4S2
Molecular Weight406.46 g/mol
Exact Mass406.05
IUPAC Namemethyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methylbenzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2csc(-c3ccc(F)cc3)n2)cc1C
InChIInChI=1S/C18H15FN2O4S2/c1-11-9-14(7-8-15(11)18(22)25-2)21-27(23,24)16-10-26-17(20-16)12-3-5-13(19)6-4-12/h3-10,21H,1-2H3
InChIKeyOQHZXVRATYPEHJ-UHFFFAOYSA-N
XLogP3.85
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methylbenzoate with MolForge

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Related Compounds

Methyl 3-({[5-(2-methyl-1,3-thiazol-4-yl)-2-thienyl]sulfonyl}amino)benzoate
CID 66802143
US12384753, Example 127
CID 167475947
US12384753, Example 55
CID 167476056
US12384753, Example 18
CID 167476132
US12384753, Example 19
CID 167476440
US12384753, Example 682
CID 168726425
US12384753, Example 47
CID 168726493
methyl 4-(N-(2-(2-(4-fluorophenyl)thiazol-4-yl)ethyl)sulfamoyl)benzoate
CID 71796463
3-[[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 51131739
4-[[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 51131741
2-[[4-[2-(2-Fluorophenyl)-1,3-thiazol-4-yl]phenyl]sulfamoyl]benzoic acid
CID 58874918
Methyl 2-methyl-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethylsulfamoyl]benzoate
CID 59706625

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methylbenzoate?
The IUPAC name of methyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methylbenzoate (CID 167475762) is methyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methylbenzoate.
What is the SMILES notation for methyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methylbenzoate?
The canonical SMILES for methyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methylbenzoate is COC(=O)c1ccc(NS(=O)(=O)c2csc(-c3ccc(F)cc3)n2)cc1C.
What is the InChIKey of methyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methylbenzoate?
The InChIKey is OQHZXVRATYPEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S2/c1-11-9-14(7-8-15(11)18(22)25-2)21-27(23,24)16-10-26-17(20-16)12-3-5-13(19)6-4-12/h3-10,21H,1-2H3.
What are the key properties of methyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methylbenzoate?
methyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methylbenzoate has a molecular weight of 406.46 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methylbenzoate is sourced from PubChem (CID 167475762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).