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

C24H19ClN4O5S — CID 1194898

IUPAC3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)cc1
InChIInChI=1S/C24H19ClN4O5S/c25-20-21(24(32)29(23(20)31)14-15-5-2-1-3-6-15)27-18-8-4-7-16(13-18)22(30)28-17-9-11-19(12-10-17)35(26,33)34/h1-13,27H,14H2,(H,28,30)(H2,26,33,34)
InChIKeyXVTAYNAPIJFSHK-UHFFFAOYSA-N
MW510.96 g/mol
LogP3.02
Rot. Bonds7

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

3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(4-sulfamoylphenyl)benzamide (PubChem CID 1194898) has the molecular formula C24H19ClN4O5S and a molecular weight of 510.96 g/mol. Its IUPAC name is 3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(4-sulfamoylphenyl)benzamide
PubChem CID1194898
Molecular FormulaC24H19ClN4O5S
Molecular Weight510.96 g/mol
Exact Mass510.08
IUPAC Name3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)cc1
InChIInChI=1S/C24H19ClN4O5S/c25-20-21(24(32)29(23(20)31)14-15-5-2-1-3-6-15)27-18-8-4-7-16(13-18)22(30)28-17-9-11-19(12-10-17)35(26,33)34/h1-13,27H,14H2,(H,28,30)(H2,26,33,34)
InChIKeyXVTAYNAPIJFSHK-UHFFFAOYSA-N
XLogP3.02
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.96
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(4-sulfamoylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(4-fluorophenyl)benzamide
CID 1194865
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzenesulfonamide
CID 1187263
methyl 3-[[3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzoyl]amino]benzoate
CID 1194869
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chlorophenyl)benzamide
CID 1194953
4-[[[4-chloro-1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrol-3-yl]amino]methyl]-N-(4-sulfamoylphenyl)benzamide
CID 1408256
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(4-iodophenyl)benzamide
CID 1194956
3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 1407640
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(2,4,6-trimethylphenyl)benzamide
CID 1178256
3-phenylmethoxy-N-(4-sulfamoylphenyl)benzamide
CID 1163178
N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 8762375
3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1407639
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(2-ethylphenyl)benzamide
CID 1194962

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(4-sulfamoylphenyl)benzamide (CID 1194898) is 3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(4-sulfamoylphenyl)benzamide is NS(=O)(=O)c1ccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)cc1.
What is the InChIKey of 3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is XVTAYNAPIJFSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O5S/c25-20-21(24(32)29(23(20)31)14-15-5-2-1-3-6-15)27-18-8-4-7-16(13-18)22(30)28-17-9-11-19(12-10-17)35(26,33)34/h1-13,27H,14H2,(H,28,30)(H2,26,33,34).
What are the key properties of 3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(4-sulfamoylphenyl)benzamide?
3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 510.96 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 1194898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).