1-methyl-4-[[5-(trifluoromethyl)furan-2-yl]sulfonylamino]pyrrole-2-carboxylic acid

C11H9F3N2O5S — CID 167984617

IUPAC1-methyl-4-[[5-(trifluoromethyl)furan-2-yl]sulfonylamino]pyrrole-2-carboxylic acid
SMILESCn1cc(NS(=O)(=O)c2ccc(C(F)(F)F)o2)cc1C(=O)O
InChIInChI=1S/C11H9F3N2O5S/c1-16-5-6(4-7(16)10(17)18)15-22(19,20)9-3-2-8(21-9)11(12,13)14/h2-5,15H,1H3,(H,17,18)
InChIKeyWRAOXYQTGIRPOA-UHFFFAOYSA-N
MW338.26 g/mol
LogP2.14
Rot. Bonds4

About 1-methyl-4-[[5-(trifluoromethyl)furan-2-yl]sulfonylamino]pyrrole-2-carboxylic acid

1-methyl-4-[[5-(trifluoromethyl)furan-2-yl]sulfonylamino]pyrrole-2-carboxylic acid (PubChem CID 167984617) has the molecular formula C11H9F3N2O5S and a molecular weight of 338.26 g/mol. Its IUPAC name is 1-methyl-4-[[5-(trifluoromethyl)furan-2-yl]sulfonylamino]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[[5-(trifluoromethyl)furan-2-yl]sulfonylamino]pyrrole-2-carboxylic acid
PubChem CID167984617
Molecular FormulaC11H9F3N2O5S
Molecular Weight338.26 g/mol
Exact Mass338.02
IUPAC Name1-methyl-4-[[5-(trifluoromethyl)furan-2-yl]sulfonylamino]pyrrole-2-carboxylic acid
SMILESCn1cc(NS(=O)(=O)c2ccc(C(F)(F)F)o2)cc1C(=O)O
InChIInChI=1S/C11H9F3N2O5S/c1-16-5-6(4-7(16)10(17)18)15-22(19,20)9-3-2-8(21-9)11(12,13)14/h2-5,15H,1H3,(H,17,18)
InChIKeyWRAOXYQTGIRPOA-UHFFFAOYSA-N
XLogP2.14
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[5-(trifluoromethyl)furan-2-yl]sulfonylamino]pyrrole-2-carboxylic acid?
The IUPAC name of 1-methyl-4-[[5-(trifluoromethyl)furan-2-yl]sulfonylamino]pyrrole-2-carboxylic acid (CID 167984617) is 1-methyl-4-[[5-(trifluoromethyl)furan-2-yl]sulfonylamino]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[[5-(trifluoromethyl)furan-2-yl]sulfonylamino]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-[[5-(trifluoromethyl)furan-2-yl]sulfonylamino]pyrrole-2-carboxylic acid is Cn1cc(NS(=O)(=O)c2ccc(C(F)(F)F)o2)cc1C(=O)O.
What is the InChIKey of 1-methyl-4-[[5-(trifluoromethyl)furan-2-yl]sulfonylamino]pyrrole-2-carboxylic acid?
The InChIKey is WRAOXYQTGIRPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O5S/c1-16-5-6(4-7(16)10(17)18)15-22(19,20)9-3-2-8(21-9)11(12,13)14/h2-5,15H,1H3,(H,17,18).
What are the key properties of 1-methyl-4-[[5-(trifluoromethyl)furan-2-yl]sulfonylamino]pyrrole-2-carboxylic acid?
1-methyl-4-[[5-(trifluoromethyl)furan-2-yl]sulfonylamino]pyrrole-2-carboxylic acid has a molecular weight of 338.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[5-(trifluoromethyl)furan-2-yl]sulfonylamino]pyrrole-2-carboxylic acid is sourced from PubChem (CID 167984617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).