4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzenesulfonamide

C17H14ClN3O4S — CID 1187263

IUPAC4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C17H14ClN3O4S/c18-14-15(20-12-6-8-13(9-7-12)26(19,24)25)17(23)21(16(14)22)10-11-4-2-1-3-5-11/h1-9,20H,10H2,(H2,19,24,25)
InChIKeyWPKORICEVGOMFZ-UHFFFAOYSA-N
MW391.84 g/mol
LogP1.77
Rot. Bonds5

About 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzenesulfonamide

4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzenesulfonamide (PubChem CID 1187263) has the molecular formula C17H14ClN3O4S and a molecular weight of 391.84 g/mol. Its IUPAC name is 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzenesulfonamide
PubChem CID1187263
Molecular FormulaC17H14ClN3O4S
Molecular Weight391.84 g/mol
Exact Mass391.04
IUPAC Name4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C17H14ClN3O4S/c18-14-15(20-12-6-8-13(9-7-12)26(19,24)25)17(23)21(16(14)22)10-11-4-2-1-3-5-11/h1-9,20H,10H2,(H2,19,24,25)
InChIKeyWPKORICEVGOMFZ-UHFFFAOYSA-N
XLogP1.77
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.84
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(4-sulfamoylphenyl)benzamide
CID 1194898
4-[[4-chloro-1-(2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonamide
CID 1186093
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(4-iodophenyl)benzamide
CID 1194956
4-[[[4-chloro-1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrol-3-yl]amino]methyl]-N-(4-sulfamoylphenyl)benzamide
CID 1408256
3-chloro-4-(4-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 724968
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1178263
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chlorophenyl)benzamide
CID 1194953
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(2-ethylphenyl)benzamide
CID 1194962
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(2,4,6-trimethylphenyl)benzamide
CID 1178256
1-benzyl-3-chloro-4-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione
CID 1194977
1-benzyl-3-chloro-4-(2,4-dimethylanilino)pyrrole-2,5-dione
CID 720409
4-[(3-chloro-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl)methyl]benzenesulfonamide
CID 110583051

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzenesulfonamide (CID 1187263) is 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzenesulfonamide?
The InChIKey is WPKORICEVGOMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4S/c18-14-15(20-12-6-8-13(9-7-12)26(19,24)25)17(23)21(16(14)22)10-11-4-2-1-3-5-11/h1-9,20H,10H2,(H2,19,24,25).
What are the key properties of 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzenesulfonamide?
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzenesulfonamide has a molecular weight of 391.84 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 1187263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).