4-[4-hydroxy-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzenesulfonamide

C20H15N3O5S2 — CID 108674234

IUPAC4-[4-hydroxy-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2ccncc2)cc1
InChIInChI=1S/C20H15N3O5S2/c21-30(27,28)14-5-3-13(4-6-14)23-17(12-7-9-22-10-8-12)16(19(25)20(23)26)18(24)15-2-1-11-29-15/h1-11,17,25H,(H2,21,27,28)
InChIKeyOWBMOFNIIFHBRO-UHFFFAOYSA-N
MW441.49 g/mol
LogP2.57
Rot. Bonds5

About 4-[4-hydroxy-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzenesulfonamide

4-[4-hydroxy-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzenesulfonamide (PubChem CID 108674234) has the molecular formula C20H15N3O5S2 and a molecular weight of 441.49 g/mol. Its IUPAC name is 4-[4-hydroxy-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-hydroxy-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzenesulfonamide
PubChem CID108674234
Molecular FormulaC20H15N3O5S2
Molecular Weight441.49 g/mol
Exact Mass441.05
IUPAC Name4-[4-hydroxy-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2ccncc2)cc1
InChIInChI=1S/C20H15N3O5S2/c21-30(27,28)14-5-3-13(4-6-14)23-17(12-7-9-22-10-8-12)16(19(25)20(23)26)18(24)15-2-1-11-29-15/h1-11,17,25H,(H2,21,27,28)
InChIKeyOWBMOFNIIFHBRO-UHFFFAOYSA-N
XLogP2.57
TPSA130.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-hydroxy-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzenesulfonamide with MolForge

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Related Compounds

4-[4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-1-yl]benzenesulfonamide
CID 108671712
1-(4-fluorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108616422
4-[4-hydroxy-5-oxo-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzonitrile
CID 108639435
1-(2,4-difluorophenyl)-4-hydroxy-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108633973
1-[4-(dimethylamino)phenyl]-4-hydroxy-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108590801
4-hydroxy-1-phenyl-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108626146
4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2H-pyrrol-1-yl]benzenesulfonamide
CID 108671791
4-hydroxy-1-(4-methylphenyl)-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108626407
2-(4-ethylphenyl)-4-hydroxy-1-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108649163
1-(4-chlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108605032
2-[(2S)-4-hydroxy-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl-dimethylazanium
CID 6979404
2-[4-(diethylamino)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108669712

Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-hydroxy-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzenesulfonamide (CID 108674234) is 4-[4-hydroxy-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-hydroxy-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-hydroxy-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2ccncc2)cc1.
What is the InChIKey of 4-[4-hydroxy-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzenesulfonamide?
The InChIKey is OWBMOFNIIFHBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O5S2/c21-30(27,28)14-5-3-13(4-6-14)23-17(12-7-9-22-10-8-12)16(19(25)20(23)26)18(24)15-2-1-11-29-15/h1-11,17,25H,(H2,21,27,28).
What are the key properties of 4-[4-hydroxy-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzenesulfonamide?
4-[4-hydroxy-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzenesulfonamide has a molecular weight of 441.49 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzenesulfonamide is sourced from PubChem (CID 108674234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).