5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

C12H13NO5S2 — CID 43526876

IUPAC5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N(C)Cc2ccco2)sc1C(=O)O
InChIInChI=1S/C12H13NO5S2/c1-8-6-10(19-11(8)12(14)15)20(16,17)13(2)7-9-4-3-5-18-9/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyXDLCRCQBRSBSSX-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.17
Rot. Bonds5

About 5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 43526876) has the molecular formula C12H13NO5S2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID43526876
Molecular FormulaC12H13NO5S2
Molecular Weight315.37 g/mol
Exact Mass315.02
IUPAC Name5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N(C)Cc2ccco2)sc1C(=O)O
InChIInChI=1S/C12H13NO5S2/c1-8-6-10(19-11(8)12(14)15)20(16,17)13(2)7-9-4-3-5-18-9/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyXDLCRCQBRSBSSX-UHFFFAOYSA-N
XLogP2.17
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60948492
4-amino-2-[furan-2-ylmethyl(methyl)sulfamoyl]benzoic acid
CID 102930942
N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937948
4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 81428830
2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide
CID 43526688
methyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 18148317
methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate
CID 95970862
3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid
CID 43526885
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 54888480
N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54929638
N-(furan-2-ylmethyl)-N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20935015

Frequently Asked Questions

What is the IUPAC name of 5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 43526876) is 5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)N(C)Cc2ccco2)sc1C(=O)O.
What is the InChIKey of 5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is XDLCRCQBRSBSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5S2/c1-8-6-10(19-11(8)12(14)15)20(16,17)13(2)7-9-4-3-5-18-9/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43526876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).