5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid

C13H13NO5S — CID 29077465

IUPAC5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid
SMILESCCc1cccc(NS(=O)(=O)c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C13H13NO5S/c1-2-9-4-3-5-10(8-9)14-20(17,18)12-7-6-11(19-12)13(15)16/h3-8,14H,2H2,1H3,(H,15,16)
InChIKeyBZXJOYOYCIIRFC-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.34
Rot. Bonds5

About 5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid

5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 29077465) has the molecular formula C13H13NO5S and a molecular weight of 295.32 g/mol. Its IUPAC name is 5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID29077465
Molecular FormulaC13H13NO5S
Molecular Weight295.32 g/mol
Exact Mass295.05
IUPAC Name5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid
SMILESCCc1cccc(NS(=O)(=O)c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C13H13NO5S/c1-2-9-4-3-5-10(8-9)14-20(17,18)12-7-6-11(19-12)13(15)16/h3-8,14H,2H2,1H3,(H,15,16)
InChIKeyBZXJOYOYCIIRFC-UHFFFAOYSA-N
XLogP2.34
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid
CID 115376501
2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid
CID 155946485
5-[(4-fluoro-3-methylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 62811091
5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-ethylphenyl)furan-2-sulfonamide
CID 53175456
2-[(3-ethylphenyl)sulfamoyl]acetic acid
CID 28773818
5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
3-[(3-ethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43090751
4-[(3-ethylphenyl)sulfamoyl]furan-2-carboxamide
CID 20858699
5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid
CID 29077337
5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 66254351
5-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid
CID 104775672
5-[(4-fluoro-3-methoxyphenyl)sulfamoyl]furan-2-carboxylic acid
CID 114837506

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid (CID 29077465) is 5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid is CCc1cccc(NS(=O)(=O)c2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is BZXJOYOYCIIRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5S/c1-2-9-4-3-5-10(8-9)14-20(17,18)12-7-6-11(19-12)13(15)16/h3-8,14H,2H2,1H3,(H,15,16).
What are the key properties of 5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid?
5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 295.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 29077465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).