5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid

C13H14N2O5S — CID 60951906

IUPAC5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N2CCCC2c2ccc[nH]2)o1
InChIInChI=1S/C13H14N2O5S/c16-13(17)11-5-6-12(20-11)21(18,19)15-8-2-4-10(15)9-3-1-7-14-9/h1,3,5-7,10,14H,2,4,8H2,(H,16,17)
InChIKeyNDINPQDIWFWRKG-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.83
Rot. Bonds4

About 5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid

5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid (PubChem CID 60951906) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid
PubChem CID60951906
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N2CCCC2c2ccc[nH]2)o1
InChIInChI=1S/C13H14N2O5S/c16-13(17)11-5-6-12(20-11)21(18,19)15-8-2-4-10(15)9-3-1-7-14-9/h1,3,5-7,10,14H,2,4,8H2,(H,16,17)
InChIKeyNDINPQDIWFWRKG-UHFFFAOYSA-N
XLogP1.83
TPSA103.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 54882569
2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 47176211
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 110873160
2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole
CID 61046643
2-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-pyrrole
CID 96545725
3,5-dimethyl-4-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 94159158
2-(1-propan-2-ylsulfonylpyrrolidin-2-yl)-1H-pyrrole
CID 61357186
4-chloro-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline
CID 61116545
5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 93086341
2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 61073788
5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 43149837
2-[(2S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 96510711

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid?
The IUPAC name of 5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid (CID 60951906) is 5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid?
The canonical SMILES for 5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)N2CCCC2c2ccc[nH]2)o1.
What is the InChIKey of 5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid?
The InChIKey is NDINPQDIWFWRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c16-13(17)11-5-6-12(20-11)21(18,19)15-8-2-4-10(15)9-3-1-7-14-9/h1,3,5-7,10,14H,2,4,8H2,(H,16,17).
What are the key properties of 5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid?
5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid has a molecular weight of 310.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid is sourced from PubChem (CID 60951906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).