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

C13H14N2O5S — CID 115376501

IUPAC5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid
SMILESCN(C)c1cccc(NS(=O)(=O)c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C13H14N2O5S/c1-15(2)10-5-3-4-9(8-10)14-21(18,19)12-7-6-11(20-12)13(16)17/h3-8,14H,1-2H3,(H,16,17)
InChIKeyCECNNFOFKUZCLK-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.84
Rot. Bonds5

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

5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid (PubChem CID 115376501) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid
PubChem CID115376501
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid
SMILESCN(C)c1cccc(NS(=O)(=O)c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C13H14N2O5S/c1-15(2)10-5-3-4-9(8-10)14-21(18,19)12-7-6-11(20-12)13(16)17/h3-8,14H,1-2H3,(H,16,17)
InChIKeyCECNNFOFKUZCLK-UHFFFAOYSA-N
XLogP1.84
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 29077465
N-[3-(dimethylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 84577331
5-[(4-fluoro-3-methylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 62811091
5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid
CID 29077337
N-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide
CID 115378257
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
5-[(3-bromo-2-methylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 107624822
5-[3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid
CID 91688110
2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid
CID 155946485
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid (CID 115376501) is 5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid is CN(C)c1cccc(NS(=O)(=O)c2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid?
The InChIKey is CECNNFOFKUZCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-15(2)10-5-3-4-9(8-10)14-21(18,19)12-7-6-11(20-12)13(16)17/h3-8,14H,1-2H3,(H,16,17).
What are the key properties of 5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid?
5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid has a molecular weight of 310.33 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 115376501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).