5-[4-[(4-methylphenyl)sulfamoyl]phenyl]furan-2-carboxylic acid

C18H15NO5S — CID 91679907

IUPAC5-[4-[(4-methylphenyl)sulfamoyl]phenyl]furan-2-carboxylic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cc1
InChIInChI=1S/C18H15NO5S/c1-12-2-6-14(7-3-12)19-25(22,23)15-8-4-13(5-9-15)16-10-11-17(24-16)18(20)21/h2-11,19H,1H3,(H,20,21)
InChIKeyFZVDXOQPCPUUDW-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.75
Rot. Bonds5

About 5-[4-[(4-methylphenyl)sulfamoyl]phenyl]furan-2-carboxylic acid

5-[4-[(4-methylphenyl)sulfamoyl]phenyl]furan-2-carboxylic acid (PubChem CID 91679907) has the molecular formula C18H15NO5S and a molecular weight of 357.39 g/mol. Its IUPAC name is 5-[4-[(4-methylphenyl)sulfamoyl]phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[(4-methylphenyl)sulfamoyl]phenyl]furan-2-carboxylic acid
PubChem CID91679907
Molecular FormulaC18H15NO5S
Molecular Weight357.39 g/mol
Exact Mass357.07
IUPAC Name5-[4-[(4-methylphenyl)sulfamoyl]phenyl]furan-2-carboxylic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cc1
InChIInChI=1S/C18H15NO5S/c1-12-2-6-14(7-3-12)19-25(22,23)15-8-4-13(5-9-15)16-10-11-17(24-16)18(20)21/h2-11,19H,1H3,(H,20,21)
InChIKeyFZVDXOQPCPUUDW-UHFFFAOYSA-N
XLogP3.75
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid
CID 91688110
5-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid
CID 91688117
5-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]furan-2-carboxamide
CID 91679909
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689392
5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]furan-2-carboxylic acid
CID 91688108
5-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]furan-2-carboxylic acid
CID 91688170
2-(4-acetamidophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55377318
4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 65481186
4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 16643195
5-[4-[(4-acetamidophenyl)sulfonylamino]-2-methoxyphenyl]furan-2-carboxylic acid
CID 91688093
5-[4-[(4-acetamidophenyl)carbamoylamino]phenyl]furan-2-carboxylic acid
CID 68831033

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-methylphenyl)sulfamoyl]phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[4-[(4-methylphenyl)sulfamoyl]phenyl]furan-2-carboxylic acid (CID 91679907) is 5-[4-[(4-methylphenyl)sulfamoyl]phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-[(4-methylphenyl)sulfamoyl]phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-[(4-methylphenyl)sulfamoyl]phenyl]furan-2-carboxylic acid is Cc1ccc(NS(=O)(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cc1.
What is the InChIKey of 5-[4-[(4-methylphenyl)sulfamoyl]phenyl]furan-2-carboxylic acid?
The InChIKey is FZVDXOQPCPUUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5S/c1-12-2-6-14(7-3-12)19-25(22,23)15-8-4-13(5-9-15)16-10-11-17(24-16)18(20)21/h2-11,19H,1H3,(H,20,21).
What are the key properties of 5-[4-[(4-methylphenyl)sulfamoyl]phenyl]furan-2-carboxylic acid?
5-[4-[(4-methylphenyl)sulfamoyl]phenyl]furan-2-carboxylic acid has a molecular weight of 357.39 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-methylphenyl)sulfamoyl]phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 91679907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).