5-methyl-4-[2-(1-methylindazol-3-yl)ethylsulfamoyl]furan-2-carboxylic acid

C16H17N3O5S — CID 126781761

IUPAC5-methyl-4-[2-(1-methylindazol-3-yl)ethylsulfamoyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCCc1nn(C)c2ccccc12
InChIInChI=1S/C16H17N3O5S/c1-10-15(9-14(24-10)16(20)21)25(22,23)17-8-7-12-11-5-3-4-6-13(11)19(2)18-12/h3-6,9,17H,7-8H2,1-2H3,(H,20,21)
InChIKeyBIBXEGZMBKTUDZ-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.69
Rot. Bonds6

About 5-methyl-4-[2-(1-methylindazol-3-yl)ethylsulfamoyl]furan-2-carboxylic acid

5-methyl-4-[2-(1-methylindazol-3-yl)ethylsulfamoyl]furan-2-carboxylic acid (PubChem CID 126781761) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 5-methyl-4-[2-(1-methylindazol-3-yl)ethylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[2-(1-methylindazol-3-yl)ethylsulfamoyl]furan-2-carboxylic acid
PubChem CID126781761
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name5-methyl-4-[2-(1-methylindazol-3-yl)ethylsulfamoyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCCc1nn(C)c2ccccc12
InChIInChI=1S/C16H17N3O5S/c1-10-15(9-14(24-10)16(20)21)25(22,23)17-8-7-12-11-5-3-4-6-13(11)19(2)18-12/h3-6,9,17H,7-8H2,1-2H3,(H,20,21)
InChIKeyBIBXEGZMBKTUDZ-UHFFFAOYSA-N
XLogP1.69
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-(1-methylindazol-3-yl)ethylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[2-(1-methylindazol-3-yl)ethylsulfamoyl]furan-2-carboxylic acid (CID 126781761) is 5-methyl-4-[2-(1-methylindazol-3-yl)ethylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[2-(1-methylindazol-3-yl)ethylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[2-(1-methylindazol-3-yl)ethylsulfamoyl]furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)NCCc1nn(C)c2ccccc12.
What is the InChIKey of 5-methyl-4-[2-(1-methylindazol-3-yl)ethylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is BIBXEGZMBKTUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-10-15(9-14(24-10)16(20)21)25(22,23)17-8-7-12-11-5-3-4-6-13(11)19(2)18-12/h3-6,9,17H,7-8H2,1-2H3,(H,20,21).
What are the key properties of 5-methyl-4-[2-(1-methylindazol-3-yl)ethylsulfamoyl]furan-2-carboxylic acid?
5-methyl-4-[2-(1-methylindazol-3-yl)ethylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 363.40 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-(1-methylindazol-3-yl)ethylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 126781761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).