methyl 5-[(4-fluoro-1-methylindazol-3-yl)sulfamoyl]-2-methylfuran-3-carboxylate

C15H14FN3O5S — CID 2809472

IUPACmethyl 5-[(4-fluoro-1-methylindazol-3-yl)sulfamoyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2nn(C)c3cccc(F)c23)oc1C
InChIInChI=1S/C15H14FN3O5S/c1-8-9(15(20)23-3)7-12(24-8)25(21,22)18-14-13-10(16)5-4-6-11(13)19(2)17-14/h4-7H,1-3H3,(H,17,18)
InChIKeyCTICSOXXZLJUBG-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.20
Rot. Bonds4

About methyl 5-[(4-fluoro-1-methylindazol-3-yl)sulfamoyl]-2-methylfuran-3-carboxylate

methyl 5-[(4-fluoro-1-methylindazol-3-yl)sulfamoyl]-2-methylfuran-3-carboxylate (PubChem CID 2809472) has the molecular formula C15H14FN3O5S and a molecular weight of 367.36 g/mol. Its IUPAC name is methyl 5-[(4-fluoro-1-methylindazol-3-yl)sulfamoyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-fluoro-1-methylindazol-3-yl)sulfamoyl]-2-methylfuran-3-carboxylate
PubChem CID2809472
Molecular FormulaC15H14FN3O5S
Molecular Weight367.36 g/mol
Exact Mass367.06
IUPAC Namemethyl 5-[(4-fluoro-1-methylindazol-3-yl)sulfamoyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2nn(C)c3cccc(F)c23)oc1C
InChIInChI=1S/C15H14FN3O5S/c1-8-9(15(20)23-3)7-12(24-8)25(21,22)18-14-13-10(16)5-4-6-11(13)19(2)17-14/h4-7H,1-3H3,(H,17,18)
InChIKeyCTICSOXXZLJUBG-UHFFFAOYSA-N
XLogP2.20
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-fluoro-1-methylindazol-3-yl)sulfamoyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[(4-fluoro-1-methylindazol-3-yl)sulfamoyl]-2-methylfuran-3-carboxylate (CID 2809472) is methyl 5-[(4-fluoro-1-methylindazol-3-yl)sulfamoyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(4-fluoro-1-methylindazol-3-yl)sulfamoyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[(4-fluoro-1-methylindazol-3-yl)sulfamoyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(S(=O)(=O)Nc2nn(C)c3cccc(F)c23)oc1C.
What is the InChIKey of methyl 5-[(4-fluoro-1-methylindazol-3-yl)sulfamoyl]-2-methylfuran-3-carboxylate?
The InChIKey is CTICSOXXZLJUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O5S/c1-8-9(15(20)23-3)7-12(24-8)25(21,22)18-14-13-10(16)5-4-6-11(13)19(2)17-14/h4-7H,1-3H3,(H,17,18).
What are the key properties of methyl 5-[(4-fluoro-1-methylindazol-3-yl)sulfamoyl]-2-methylfuran-3-carboxylate?
methyl 5-[(4-fluoro-1-methylindazol-3-yl)sulfamoyl]-2-methylfuran-3-carboxylate has a molecular weight of 367.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-fluoro-1-methylindazol-3-yl)sulfamoyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 2809472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).