methyl 2-methyl-5-[(1-methylindazol-3-yl)sulfamoyl]furan-3-carboxylate

C15H15N3O5S — CID 2809471

IUPACmethyl 2-methyl-5-[(1-methylindazol-3-yl)sulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2nn(C)c3ccccc23)oc1C
InChIInChI=1S/C15H15N3O5S/c1-9-11(15(19)22-3)8-13(23-9)24(20,21)17-14-10-6-4-5-7-12(10)18(2)16-14/h4-8H,1-3H3,(H,16,17)
InChIKeyOTAQYODONQNYBJ-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.06
Rot. Bonds4

About methyl 2-methyl-5-[(1-methylindazol-3-yl)sulfamoyl]furan-3-carboxylate

methyl 2-methyl-5-[(1-methylindazol-3-yl)sulfamoyl]furan-3-carboxylate (PubChem CID 2809471) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is methyl 2-methyl-5-[(1-methylindazol-3-yl)sulfamoyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[(1-methylindazol-3-yl)sulfamoyl]furan-3-carboxylate
PubChem CID2809471
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Namemethyl 2-methyl-5-[(1-methylindazol-3-yl)sulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2nn(C)c3ccccc23)oc1C
InChIInChI=1S/C15H15N3O5S/c1-9-11(15(19)22-3)8-13(23-9)24(20,21)17-14-10-6-4-5-7-12(10)18(2)16-14/h4-8H,1-3H3,(H,16,17)
InChIKeyOTAQYODONQNYBJ-UHFFFAOYSA-N
XLogP2.06
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[(1-methylindazol-3-yl)sulfamoyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[(1-methylindazol-3-yl)sulfamoyl]furan-3-carboxylate (CID 2809471) is methyl 2-methyl-5-[(1-methylindazol-3-yl)sulfamoyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[(1-methylindazol-3-yl)sulfamoyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[(1-methylindazol-3-yl)sulfamoyl]furan-3-carboxylate is COC(=O)c1cc(S(=O)(=O)Nc2nn(C)c3ccccc23)oc1C.
What is the InChIKey of methyl 2-methyl-5-[(1-methylindazol-3-yl)sulfamoyl]furan-3-carboxylate?
The InChIKey is OTAQYODONQNYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-9-11(15(19)22-3)8-13(23-9)24(20,21)17-14-10-6-4-5-7-12(10)18(2)16-14/h4-8H,1-3H3,(H,16,17).
What are the key properties of methyl 2-methyl-5-[(1-methylindazol-3-yl)sulfamoyl]furan-3-carboxylate?
methyl 2-methyl-5-[(1-methylindazol-3-yl)sulfamoyl]furan-3-carboxylate has a molecular weight of 349.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[(1-methylindazol-3-yl)sulfamoyl]furan-3-carboxylate is sourced from PubChem (CID 2809471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).