4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid

C12H13NO6S — CID 62804693

IUPAC4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCCc1ccco1
InChIInChI=1S/C12H13NO6S/c1-8-11(7-10(19-8)12(14)15)20(16,17)13-5-4-9-3-2-6-18-9/h2-3,6-7,13H,4-5H2,1H3,(H,14,15)
InChIKeySOUNIRIMQJDJQF-UHFFFAOYSA-N
MW299.30 g/mol
LogP1.40
Rot. Bonds6

About 4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid

4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 62804693) has the molecular formula C12H13NO6S and a molecular weight of 299.30 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID62804693
Molecular FormulaC12H13NO6S
Molecular Weight299.30 g/mol
Exact Mass299.05
IUPAC Name4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCCc1ccco1
InChIInChI=1S/C12H13NO6S/c1-8-11(7-10(19-8)12(14)15)20(16,17)13-5-4-9-3-2-6-18-9/h2-3,6-7,13H,4-5H2,1H3,(H,14,15)
InChIKeySOUNIRIMQJDJQF-UHFFFAOYSA-N
XLogP1.40
TPSA109.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62803418
3-[2-(furan-2-yl)ethylsulfamoyl]-2-methylbenzoic acid
CID 63743675
5-methyl-4-(2-methylsulfanylethylsulfamoyl)furan-2-carboxylic acid
CID 62804483
5-methyl-4-(2-pyridin-2-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62803786
5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62804149
5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid
CID 62803249
5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 61128181
5-methyl-4-[2-(1-methylindazol-3-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 126781761
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62803246
5-methyl-4-(pent-3-ynylsulfamoyl)furan-2-carboxylic acid
CID 116642774
4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106996804
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 65232447

Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid (CID 62804693) is 4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)NCCc1ccco1.
What is the InChIKey of 4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is SOUNIRIMQJDJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO6S/c1-8-11(7-10(19-8)12(14)15)20(16,17)13-5-4-9-3-2-6-18-9/h2-3,6-7,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 299.30 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 62804693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).