5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid

C14H15NO5S — CID 62803246

IUPAC5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
SMILESCc1ccc(CNS(=O)(=O)c2cc(C(=O)O)oc2C)cc1
InChIInChI=1S/C14H15NO5S/c1-9-3-5-11(6-4-9)8-15-21(18,19)13-7-12(14(16)17)20-10(13)2/h3-7,15H,8H2,1-2H3,(H,16,17)
InChIKeyJSPPDFGMWAACSB-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.07
Rot. Bonds5

About 5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid

5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid (PubChem CID 62803246) has the molecular formula C14H15NO5S and a molecular weight of 309.34 g/mol. Its IUPAC name is 5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
PubChem CID62803246
Molecular FormulaC14H15NO5S
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Name5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
SMILESCc1ccc(CNS(=O)(=O)c2cc(C(=O)O)oc2C)cc1
InChIInChI=1S/C14H15NO5S/c1-9-3-5-11(6-4-9)8-15-21(18,19)13-7-12(14(16)17)20-10(13)2/h3-7,15H,8H2,1-2H3,(H,16,17)
InChIKeyJSPPDFGMWAACSB-UHFFFAOYSA-N
XLogP2.07
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62804132
4-[(3-bromophenyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804872
5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803440
4-[(2-bromophenyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805041
5-methyl-4-(2-methylsulfanylethylsulfamoyl)furan-2-carboxylic acid
CID 62804483
4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 139003545
5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]furan-2-carboxylic acid
CID 114698518
5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid
CID 62803249
5-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 63280665
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 154742165
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 63328239
4-[[4-(hydroxymethyl)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 115778042

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid (CID 62803246) is 5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid is Cc1ccc(CNS(=O)(=O)c2cc(C(=O)O)oc2C)cc1.
What is the InChIKey of 5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is JSPPDFGMWAACSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S/c1-9-3-5-11(6-4-9)8-15-21(18,19)13-7-12(14(16)17)20-10(13)2/h3-7,15H,8H2,1-2H3,(H,16,17).
What are the key properties of 5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid?
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 309.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62803246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).