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

C19H14N2O5S3 — CID 108671712

IUPAC4-[4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2cccs2)cc1
InChIInChI=1S/C19H14N2O5S3/c20-29(25,26)12-7-5-11(6-8-12)21-16(13-3-1-9-27-13)15(18(23)19(21)24)17(22)14-4-2-10-28-14/h1-10,16,23H,(H2,20,25,26)
InChIKeyNWQCOFNYELHLNM-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.24
Rot. Bonds5

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

4-[4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-1-yl]benzenesulfonamide (PubChem CID 108671712) has the molecular formula C19H14N2O5S3 and a molecular weight of 446.53 g/mol. Its IUPAC name is 4-[4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-1-yl]benzenesulfonamide
PubChem CID108671712
Molecular FormulaC19H14N2O5S3
Molecular Weight446.53 g/mol
Exact Mass446.01
IUPAC Name4-[4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2cccs2)cc1
InChIInChI=1S/C19H14N2O5S3/c20-29(25,26)12-7-5-11(6-8-12)21-16(13-3-1-9-27-13)15(18(23)19(21)24)17(22)14-4-2-10-28-14/h1-10,16,23H,(H2,20,25,26)
InChIKeyNWQCOFNYELHLNM-UHFFFAOYSA-N
XLogP3.24
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-hydroxy-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzenesulfonamide
CID 108674234
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-[4-hydroxy-5-oxo-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-1-yl]benzenesulfonamide
CID 108671783
ethyl 4-[4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-1-yl]benzoate
CID 45123660
1-(3,4-dimethylphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108622633
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
4-hydroxy-1-phenyl-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108626146
1-(4-chlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108605032
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-fluorophenyl)-4-hydroxy-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108618583

Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-1-yl]benzenesulfonamide (CID 108671712) is 4-[4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2cccs2)cc1.
What is the InChIKey of 4-[4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-1-yl]benzenesulfonamide?
The InChIKey is NWQCOFNYELHLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5S3/c20-29(25,26)12-7-5-11(6-8-12)21-16(13-3-1-9-27-13)15(18(23)19(21)24)17(22)14-4-2-10-28-14/h1-10,16,23H,(H2,20,25,26).
What are the key properties of 4-[4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-1-yl]benzenesulfonamide?
4-[4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-1-yl]benzenesulfonamide has a molecular weight of 446.53 g/mol, XLogP of 3.24, 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-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-1-yl]benzenesulfonamide is sourced from PubChem (CID 108671712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).