4-(2-hydroxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid

C10H15NO6S — CID 43499054

IUPAC4-(2-hydroxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)NCC(C)O)c1C(=O)O
InChIInChI=1S/C10H15NO6S/c1-5(12)4-11-18(15,16)9-7(3)17-6(2)8(9)10(13)14/h5,11-12H,4H2,1-3H3,(H,13,14)
InChIKeyUZXNCIZAXQCXFG-UHFFFAOYSA-N
MW277.30 g/mol
LogP0.25
Rot. Bonds5

About 4-(2-hydroxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid

4-(2-hydroxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid (PubChem CID 43499054) has the molecular formula C10H15NO6S and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-(2-hydroxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
PubChem CID43499054
Molecular FormulaC10H15NO6S
Molecular Weight277.30 g/mol
Exact Mass277.06
IUPAC Name4-(2-hydroxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)NCC(C)O)c1C(=O)O
InChIInChI=1S/C10H15NO6S/c1-5(12)4-11-18(15,16)9-7(3)17-6(2)8(9)10(13)14/h5,11-12H,4H2,1-3H3,(H,13,14)
InChIKeyUZXNCIZAXQCXFG-UHFFFAOYSA-N
XLogP0.25
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(dimethylamino)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 43319876
4-[2-(methanesulfonamido)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 43546086
4-[(5-hydroxy-4-methylpentyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 106155956
2,5-dimethyl-4-(3-methylpentan-2-ylsulfamoyl)furan-3-carboxylic acid
CID 61463329
4-(cyclopentylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 43371010
4-[(4-amino-4-oxobutyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 60864108
2,5-dimethyl-4-(3-methylsulfonylpropylsulfamoyl)furan-3-carboxylic acid
CID 61020522
methyl 4-(2-aminopropylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
CID 63733358
4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 43330869
2,5-dimethyl-4-(pent-3-ynylsulfamoyl)furan-3-carboxylic acid
CID 116642733
4-(dicyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 61482264
2,5-dimethyl-4-(pent-4-ynylsulfamoyl)furan-3-carboxylic acid
CID 106220027

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid?
The IUPAC name of 4-(2-hydroxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid (CID 43499054) is 4-(2-hydroxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid?
The canonical SMILES for 4-(2-hydroxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid is Cc1oc(C)c(S(=O)(=O)NCC(C)O)c1C(=O)O.
What is the InChIKey of 4-(2-hydroxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid?
The InChIKey is UZXNCIZAXQCXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO6S/c1-5(12)4-11-18(15,16)9-7(3)17-6(2)8(9)10(13)14/h5,11-12H,4H2,1-3H3,(H,13,14).
What are the key properties of 4-(2-hydroxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid?
4-(2-hydroxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid has a molecular weight of 277.30 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid is sourced from PubChem (CID 43499054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).