5-(thiophen-2-ylsulfonylmethyl)furan-2-carboxylic acid

C10H8O5S2 — CID 28942591

IUPAC5-(thiophen-2-ylsulfonylmethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CS(=O)(=O)c2cccs2)o1
InChIInChI=1S/C10H8O5S2/c11-10(12)8-4-3-7(15-8)6-17(13,14)9-2-1-5-16-9/h1-5H,6H2,(H,11,12)
InChIKeyNTWQPIDGXSHRHM-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.01
Rot. Bonds4

About 5-(thiophen-2-ylsulfonylmethyl)furan-2-carboxylic acid

5-(thiophen-2-ylsulfonylmethyl)furan-2-carboxylic acid (PubChem CID 28942591) has the molecular formula C10H8O5S2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-(thiophen-2-ylsulfonylmethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(thiophen-2-ylsulfonylmethyl)furan-2-carboxylic acid
PubChem CID28942591
Molecular FormulaC10H8O5S2
Molecular Weight272.30 g/mol
Exact Mass271.98
IUPAC Name5-(thiophen-2-ylsulfonylmethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CS(=O)(=O)c2cccs2)o1
InChIInChI=1S/C10H8O5S2/c11-10(12)8-4-3-7(15-8)6-17(13,14)9-2-1-5-16-9/h1-5H,6H2,(H,11,12)
InChIKeyNTWQPIDGXSHRHM-UHFFFAOYSA-N
XLogP2.01
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(thiophen-2-ylsulfonylmethyl)furan-2-carboxylic acid?
The IUPAC name of 5-(thiophen-2-ylsulfonylmethyl)furan-2-carboxylic acid (CID 28942591) is 5-(thiophen-2-ylsulfonylmethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(thiophen-2-ylsulfonylmethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(thiophen-2-ylsulfonylmethyl)furan-2-carboxylic acid is O=C(O)c1ccc(CS(=O)(=O)c2cccs2)o1.
What is the InChIKey of 5-(thiophen-2-ylsulfonylmethyl)furan-2-carboxylic acid?
The InChIKey is NTWQPIDGXSHRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O5S2/c11-10(12)8-4-3-7(15-8)6-17(13,14)9-2-1-5-16-9/h1-5H,6H2,(H,11,12).
What are the key properties of 5-(thiophen-2-ylsulfonylmethyl)furan-2-carboxylic acid?
5-(thiophen-2-ylsulfonylmethyl)furan-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-2-ylsulfonylmethyl)furan-2-carboxylic acid is sourced from PubChem (CID 28942591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).