2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid

C13H13NO5S — CID 155946485

IUPAC2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid
SMILESCc1ccc(S(=O)(=O)Nc2cccc(CC(=O)O)c2)o1
InChIInChI=1S/C13H13NO5S/c1-9-5-6-13(19-9)20(17,18)14-11-4-2-3-10(7-11)8-12(15)16/h2-7,14H,8H2,1H3,(H,15,16)
InChIKeyVHSRQBJLNXWNOR-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.02
Rot. Bonds5

About 2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid

2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid (PubChem CID 155946485) has the molecular formula C13H13NO5S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid
PubChem CID155946485
Molecular FormulaC13H13NO5S
Molecular Weight295.32 g/mol
Exact Mass295.05
IUPAC Name2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid
SMILESCc1ccc(S(=O)(=O)Nc2cccc(CC(=O)O)c2)o1
InChIInChI=1S/C13H13NO5S/c1-9-5-6-13(19-9)20(17,18)14-11-4-2-3-10(7-11)8-12(15)16/h2-7,14H,8H2,1H3,(H,15,16)
InChIKeyVHSRQBJLNXWNOR-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 29077465
2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid
CID 23061993
2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid
CID 65345578
2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
CID 65345444
2-[3-(tert-butylsulfamoylamino)phenyl]acetic acid
CID 113421766
2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid
CID 43440440
2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid
CID 65345488
2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid
CID 65345395
2-[4-[(3-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 61167886
2-[3-[[3-(phenylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 142738812
5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid
CID 115376501
2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid
CID 69449790

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid (CID 155946485) is 2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid is Cc1ccc(S(=O)(=O)Nc2cccc(CC(=O)O)c2)o1.
What is the InChIKey of 2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid?
The InChIKey is VHSRQBJLNXWNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5S/c1-9-5-6-13(19-9)20(17,18)14-11-4-2-3-10(7-11)8-12(15)16/h2-7,14H,8H2,1H3,(H,15,16).
What are the key properties of 2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid?
2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid has a molecular weight of 295.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid is sourced from PubChem (CID 155946485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).