5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid

C14H15NO5S — CID 62313553

IUPAC5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid
SMILESCc1cccc(CCNS(=O)(=O)c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C14H15NO5S/c1-10-3-2-4-11(9-10)7-8-15-21(18,19)13-6-5-12(20-13)14(16)17/h2-6,9,15H,7-8H2,1H3,(H,16,17)
InChIKeyJNECUKBOJYAOLD-UHFFFAOYSA-N
MW309.34 g/mol
LogP1.81
Rot. Bonds6

About 5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid

5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid (PubChem CID 62313553) has the molecular formula C14H15NO5S and a molecular weight of 309.34 g/mol. Its IUPAC name is 5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid
PubChem CID62313553
Molecular FormulaC14H15NO5S
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Name5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid
SMILESCc1cccc(CCNS(=O)(=O)c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C14H15NO5S/c1-10-3-2-4-11(9-10)7-8-15-21(18,19)13-6-5-12(20-13)14(16)17/h2-6,9,15H,7-8H2,1H3,(H,16,17)
InChIKeyJNECUKBOJYAOLD-UHFFFAOYSA-N
XLogP1.81
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-thiophen-3-ylethylsulfamoyl)furan-2-carboxylic acid
CID 61473467
5-[(3-chlorophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 43361993
5-[[(1S)-1-(3-methylphenyl)ethyl]sulfamoyl]furan-2-carboxylic acid
CID 81369021
5-[2-(3-methylphenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 62314105
5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 106335110
5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 60924480
5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid
CID 29077453
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid
CID 104932979
5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 29077465
5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid
CID 113493885
5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid
CID 60926737
N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide
CID 110288627

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid (CID 62313553) is 5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid is Cc1cccc(CCNS(=O)(=O)c2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is JNECUKBOJYAOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S/c1-10-3-2-4-11(9-10)7-8-15-21(18,19)13-6-5-12(20-13)14(16)17/h2-6,9,15H,7-8H2,1H3,(H,16,17).
What are the key properties of 5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid?
5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 309.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62313553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).