5-(methanesulfonamidomethyl)furan-2-carboxylic acid

C7H9NO5S — CID 71755703

IUPAC5-(methanesulfonamidomethyl)furan-2-carboxylic acid
SMILESCS(=O)(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C7H9NO5S/c1-14(11,12)8-4-5-2-3-6(13-5)7(9)10/h2-3,8H,4H2,1H3,(H,9,10)
InChIKeyPZAFCXGNXMLRRS-UHFFFAOYSA-N
MW219.22 g/mol
LogP0.03
Rot. Bonds4

About 5-(methanesulfonamidomethyl)furan-2-carboxylic acid

5-(methanesulfonamidomethyl)furan-2-carboxylic acid (PubChem CID 71755703) has the molecular formula C7H9NO5S and a molecular weight of 219.22 g/mol. Its IUPAC name is 5-(methanesulfonamidomethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(methanesulfonamidomethyl)furan-2-carboxylic acid
PubChem CID71755703
Molecular FormulaC7H9NO5S
Molecular Weight219.22 g/mol
Exact Mass219.02
IUPAC Name5-(methanesulfonamidomethyl)furan-2-carboxylic acid
SMILESCS(=O)(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C7H9NO5S/c1-14(11,12)8-4-5-2-3-6(13-5)7(9)10/h2-3,8H,4H2,1H3,(H,9,10)
InChIKeyPZAFCXGNXMLRRS-UHFFFAOYSA-N
XLogP0.03
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methanesulfonamidomethyl)furan-2-carboxylic acid?
The IUPAC name of 5-(methanesulfonamidomethyl)furan-2-carboxylic acid (CID 71755703) is 5-(methanesulfonamidomethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(methanesulfonamidomethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(methanesulfonamidomethyl)furan-2-carboxylic acid is CS(=O)(=O)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-(methanesulfonamidomethyl)furan-2-carboxylic acid?
The InChIKey is PZAFCXGNXMLRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO5S/c1-14(11,12)8-4-5-2-3-6(13-5)7(9)10/h2-3,8H,4H2,1H3,(H,9,10).
What are the key properties of 5-(methanesulfonamidomethyl)furan-2-carboxylic acid?
5-(methanesulfonamidomethyl)furan-2-carboxylic acid has a molecular weight of 219.22 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methanesulfonamidomethyl)furan-2-carboxylic acid is sourced from PubChem (CID 71755703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).