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

C14H14F2N2O4S2 — CID 75378875

IUPACmethyl 2,3-difluoro-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCc2csc(C)n2)cc(F)c1F
InChIInChI=1S/C14H14F2N2O4S2/c1-8-18-9(7-23-8)3-4-17-24(20,21)10-5-11(14(19)22-2)13(16)12(15)6-10/h5-7,17H,3-4H2,1-2H3
InChIKeyCVYADKFZUIJVGW-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.04
Rot. Bonds6

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

methyl 2,3-difluoro-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate (PubChem CID 75378875) has the molecular formula C14H14F2N2O4S2 and a molecular weight of 376.41 g/mol. Its IUPAC name is methyl 2,3-difluoro-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2,3-difluoro-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate
PubChem CID75378875
Molecular FormulaC14H14F2N2O4S2
Molecular Weight376.41 g/mol
Exact Mass376.04
IUPAC Namemethyl 2,3-difluoro-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCc2csc(C)n2)cc(F)c1F
InChIInChI=1S/C14H14F2N2O4S2/c1-8-18-9(7-23-8)3-4-17-24(20,21)10-5-11(14(19)22-2)13(16)12(15)6-10/h5-7,17H,3-4H2,1-2H3
InChIKeyCVYADKFZUIJVGW-UHFFFAOYSA-N
XLogP2.04
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-difluoro-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate?
The IUPAC name of methyl 2,3-difluoro-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate (CID 75378875) is methyl 2,3-difluoro-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate.
What is the SMILES notation for methyl 2,3-difluoro-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate?
The canonical SMILES for methyl 2,3-difluoro-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate is COC(=O)c1cc(S(=O)(=O)NCCc2csc(C)n2)cc(F)c1F.
What is the InChIKey of methyl 2,3-difluoro-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate?
The InChIKey is CVYADKFZUIJVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O4S2/c1-8-18-9(7-23-8)3-4-17-24(20,21)10-5-11(14(19)22-2)13(16)12(15)6-10/h5-7,17H,3-4H2,1-2H3.
What are the key properties of methyl 2,3-difluoro-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate?
methyl 2,3-difluoro-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate has a molecular weight of 376.41 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-difluoro-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate is sourced from PubChem (CID 75378875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).