methyl 5-fluoro-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate

C14H15FN2O4S2 — CID 75390881

IUPACmethyl 5-fluoro-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1cc(F)ccc1S(=O)(=O)NCCc1csc(C)n1
InChIInChI=1S/C14H15FN2O4S2/c1-9-17-11(8-22-9)5-6-16-23(19,20)13-4-3-10(15)7-12(13)14(18)21-2/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyFIXAJINHZNFAEP-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.90
Rot. Bonds6

About methyl 5-fluoro-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate

methyl 5-fluoro-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate (PubChem CID 75390881) has the molecular formula C14H15FN2O4S2 and a molecular weight of 358.42 g/mol. Its IUPAC name is methyl 5-fluoro-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate
PubChem CID75390881
Molecular FormulaC14H15FN2O4S2
Molecular Weight358.42 g/mol
Exact Mass358.05
IUPAC Namemethyl 5-fluoro-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1cc(F)ccc1S(=O)(=O)NCCc1csc(C)n1
InChIInChI=1S/C14H15FN2O4S2/c1-9-17-11(8-22-9)5-6-16-23(19,20)13-4-3-10(15)7-12(13)14(18)21-2/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyFIXAJINHZNFAEP-UHFFFAOYSA-N
XLogP1.90
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 112500676
5-amino-2-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034297
5-amino-2-fluoro-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034088
methyl 4-fluoro-2-(2-methylsulfanylethylsulfamoyl)benzoate
CID 103833416
methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate
CID 119973384
2-bromo-5-(hydroxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]furan-3-sulfonamide
CID 106044022
2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106049676
5-amino-2,3-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034183
4-(ethylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106095026
N-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide
CID 3243012
3-amino-5-chloro-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034093
4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 51125777

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate?
The IUPAC name of methyl 5-fluoro-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate (CID 75390881) is methyl 5-fluoro-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate.
What is the SMILES notation for methyl 5-fluoro-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate?
The canonical SMILES for methyl 5-fluoro-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate is COC(=O)c1cc(F)ccc1S(=O)(=O)NCCc1csc(C)n1.
What is the InChIKey of methyl 5-fluoro-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate?
The InChIKey is FIXAJINHZNFAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4S2/c1-9-17-11(8-22-9)5-6-16-23(19,20)13-4-3-10(15)7-12(13)14(18)21-2/h3-4,7-8,16H,5-6H2,1-2H3.
What are the key properties of methyl 5-fluoro-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate?
methyl 5-fluoro-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate has a molecular weight of 358.42 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate is sourced from PubChem (CID 75390881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).