4-[furan-3-ylmethyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid

C12H13NO6S — CID 62804879

IUPAC4-[furan-3-ylmethyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)N(C)Cc1ccoc1
InChIInChI=1S/C12H13NO6S/c1-8-11(5-10(19-8)12(14)15)20(16,17)13(2)6-9-3-4-18-7-9/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyBLHRTNWMUGHOIJ-UHFFFAOYSA-N
MW299.30 g/mol
LogP1.70
Rot. Bonds5

About 4-[furan-3-ylmethyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid

4-[furan-3-ylmethyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 62804879) has the molecular formula C12H13NO6S and a molecular weight of 299.30 g/mol. Its IUPAC name is 4-[furan-3-ylmethyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[furan-3-ylmethyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID62804879
Molecular FormulaC12H13NO6S
Molecular Weight299.30 g/mol
Exact Mass299.05
IUPAC Name4-[furan-3-ylmethyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)N(C)Cc1ccoc1
InChIInChI=1S/C12H13NO6S/c1-8-11(5-10(19-8)12(14)15)20(16,17)13(2)6-9-3-4-18-7-9/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyBLHRTNWMUGHOIJ-UHFFFAOYSA-N
XLogP1.70
TPSA100.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-hydroxypropyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805254
5-methyl-4-[methyl(propyl)sulfamoyl]furan-2-carboxylic acid
CID 62804138
3-fluoro-4-[furan-3-ylmethyl(methyl)sulfamoyl]benzoic acid
CID 79177687
4-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805395
4-[furan-3-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61422202
4-(aminomethyl)-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide
CID 106996774
4-[furan-3-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 81435035
2-bromo-N-(furan-3-ylmethyl)-5-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide
CID 114363049
5-amino-4-bromo-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide
CID 114625431
N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide
CID 47358994
5-amino-2,4-difluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide
CID 61421440
2-[5-[furan-3-ylmethyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 61221699

Frequently Asked Questions

What is the IUPAC name of 4-[furan-3-ylmethyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[furan-3-ylmethyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid (CID 62804879) is 4-[furan-3-ylmethyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[furan-3-ylmethyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[furan-3-ylmethyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)N(C)Cc1ccoc1.
What is the InChIKey of 4-[furan-3-ylmethyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is BLHRTNWMUGHOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO6S/c1-8-11(5-10(19-8)12(14)15)20(16,17)13(2)6-9-3-4-18-7-9/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 4-[furan-3-ylmethyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[furan-3-ylmethyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 299.30 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[furan-3-ylmethyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 62804879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).