4-[(3-chloro-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl)methyl]benzenesulfonamide

C15H11ClN2O4S2 — CID 110583051

IUPAC4-[(3-chloro-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CN2C(=O)C(Cl)=C(c3cccs3)C2=O)cc1
InChIInChI=1S/C15H11ClN2O4S2/c16-13-12(11-2-1-7-23-11)14(19)18(15(13)20)8-9-3-5-10(6-4-9)24(17,21)22/h1-7H,8H2,(H2,17,21,22)
InChIKeyMNMGXJISGJYASU-UHFFFAOYSA-N
MW382.85 g/mol
LogP1.91
Rot. Bonds4

About 4-[(3-chloro-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl)methyl]benzenesulfonamide

4-[(3-chloro-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl)methyl]benzenesulfonamide (PubChem CID 110583051) has the molecular formula C15H11ClN2O4S2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 4-[(3-chloro-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3-chloro-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl)methyl]benzenesulfonamide
PubChem CID110583051
Molecular FormulaC15H11ClN2O4S2
Molecular Weight382.85 g/mol
Exact Mass381.98
IUPAC Name4-[(3-chloro-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CN2C(=O)C(Cl)=C(c3cccs3)C2=O)cc1
InChIInChI=1S/C15H11ClN2O4S2/c16-13-12(11-2-1-7-23-11)14(19)18(15(13)20)8-9-3-5-10(6-4-9)24(17,21)22/h1-7H,8H2,(H2,17,21,22)
InChIKeyMNMGXJISGJYASU-UHFFFAOYSA-N
XLogP1.91
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[[3-chloro-4-[4-(2-methylpropoxy)phenyl]-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide
CID 110582522
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzenesulfonamide
CID 1187263
4-[(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)methyl]benzenesulfonamide
CID 142707215
4-[(1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzenesulfonamide
CID 71602540
3-chloro-1-(3-ethoxypropyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110583060
4-[2-[3-chloro-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide
CID 110584213
3-chloro-1-[2-(4-methoxyphenoxy)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110583041
1-benzyl-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590782
4-(2,5-dioxo-3-phenylsulfanyl-4-thiophen-2-ylpyrrol-1-yl)benzenesulfonamide
CID 110554649
1-[(4-chlorophenyl)methyl]-3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552484
1-[(4-chlorophenyl)methyl]-3-(2,3-dimethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590575
1-[2-(4-chlorophenyl)ethyl]-3-hydroxy-4-thiophen-2-ylpyrrole-2,5-dione
CID 110582751

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-[(3-chloro-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl)methyl]benzenesulfonamide (CID 110583051) is 4-[(3-chloro-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(3-chloro-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(3-chloro-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl)methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CN2C(=O)C(Cl)=C(c3cccs3)C2=O)cc1.
What is the InChIKey of 4-[(3-chloro-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl)methyl]benzenesulfonamide?
The InChIKey is MNMGXJISGJYASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O4S2/c16-13-12(11-2-1-7-23-11)14(19)18(15(13)20)8-9-3-5-10(6-4-9)24(17,21)22/h1-7H,8H2,(H2,17,21,22).
What are the key properties of 4-[(3-chloro-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl)methyl]benzenesulfonamide?
4-[(3-chloro-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl)methyl]benzenesulfonamide has a molecular weight of 382.85 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110583051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).