methyl 4-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]benzoate

C19H17FN2O4S2 — CID 71796463

IUPACmethyl 4-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H17FN2O4S2/c1-26-19(23)14-4-8-17(9-5-14)28(24,25)21-11-10-16-12-27-18(22-16)13-2-6-15(20)7-3-13/h2-9,12,21H,10-11H2,1H3
InChIKeyYGKVIGBFWCHRQT-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.26
Rot. Bonds7

About methyl 4-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]benzoate

methyl 4-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]benzoate (PubChem CID 71796463) has the molecular formula C19H17FN2O4S2 and a molecular weight of 420.49 g/mol. Its IUPAC name is methyl 4-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]benzoate
PubChem CID71796463
Molecular FormulaC19H17FN2O4S2
Molecular Weight420.49 g/mol
Exact Mass420.06
IUPAC Namemethyl 4-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H17FN2O4S2/c1-26-19(23)14-4-8-17(9-5-14)28(24,25)21-11-10-16-12-27-18(22-16)13-2-6-15(20)7-3-13/h2-9,12,21H,10-11H2,1H3
InChIKeyYGKVIGBFWCHRQT-UHFFFAOYSA-N
XLogP3.26
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]benzoate?
The IUPAC name of methyl 4-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]benzoate (CID 71796463) is methyl 4-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]benzoate?
The canonical SMILES for methyl 4-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of methyl 4-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]benzoate?
The InChIKey is YGKVIGBFWCHRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S2/c1-26-19(23)14-4-8-17(9-5-14)28(24,25)21-11-10-16-12-27-18(22-16)13-2-6-15(20)7-3-13/h2-9,12,21H,10-11H2,1H3.
What are the key properties of methyl 4-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]benzoate?
methyl 4-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]benzoate has a molecular weight of 420.49 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]benzoate is sourced from PubChem (CID 71796463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).