4-chloro-N-[4-(4-chlorobenzoyl)imino-5-phenyl-7-(4-sulfamoylphenyl)pyrrolo[2,3-d]pyrimidin-3-yl]benzamide

C32H22Cl2N6O4S — CID 24882541

IUPAC4-chloro-N-[4-(4-chlorobenzoyl)imino-5-phenyl-7-(4-sulfamoylphenyl)pyrrolo[2,3-d]pyrimidin-3-yl]benzamide
SMILESNS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)c3/c(=N/C(=O)c4ccc(Cl)cc4)n(NC(=O)c4ccc(Cl)cc4)cnc32)cc1
InChIInChI=1S/C32H22Cl2N6O4S/c33-23-10-6-21(7-11-23)31(41)37-30-28-27(20-4-2-1-3-5-20)18-39(25-14-16-26(17-15-25)45(35,43)44)29(28)36-19-40(30)38-32(42)22-8-12-24(34)13-9-22/h1-19H,(H,38,42)(H2,35,43,44)/b37-30-
InChIKeyLJMMLBKWLIXLJN-ONQIKCEGSA-N
MW657.54 g/mol
LogP5.57
Rot. Bonds6

About 4-chloro-N-[4-(4-chlorobenzoyl)imino-5-phenyl-7-(4-sulfamoylphenyl)pyrrolo[2,3-d]pyrimidin-3-yl]benzamide

4-chloro-N-[4-(4-chlorobenzoyl)imino-5-phenyl-7-(4-sulfamoylphenyl)pyrrolo[2,3-d]pyrimidin-3-yl]benzamide (PubChem CID 24882541) has the molecular formula C32H22Cl2N6O4S and a molecular weight of 657.54 g/mol. Its IUPAC name is 4-chloro-N-[4-(4-chlorobenzoyl)imino-5-phenyl-7-(4-sulfamoylphenyl)pyrrolo[2,3-d]pyrimidin-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(4-chlorobenzoyl)imino-5-phenyl-7-(4-sulfamoylphenyl)pyrrolo[2,3-d]pyrimidin-3-yl]benzamide
PubChem CID24882541
Molecular FormulaC32H22Cl2N6O4S
Molecular Weight657.54 g/mol
Exact Mass656.08
IUPAC Name4-chloro-N-[4-(4-chlorobenzoyl)imino-5-phenyl-7-(4-sulfamoylphenyl)pyrrolo[2,3-d]pyrimidin-3-yl]benzamide
SMILESNS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)c3/c(=N/C(=O)c4ccc(Cl)cc4)n(NC(=O)c4ccc(Cl)cc4)cnc32)cc1
InChIInChI=1S/C32H22Cl2N6O4S/c33-23-10-6-21(7-11-23)31(41)37-30-28-27(20-4-2-1-3-5-20)18-39(25-14-16-26(17-15-25)45(35,43)44)29(28)36-19-40(30)38-32(42)22-8-12-24(34)13-9-22/h1-19H,(H,38,42)(H2,35,43,44)/b37-30-
InChIKeyLJMMLBKWLIXLJN-ONQIKCEGSA-N
XLogP5.57
TPSA141.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.54
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-[4-(4-chlorobenzoyl)imino-5-phenyl-7-(4-sulfamoylphenyl)pyrrolo[2,3-d]pyrimidin-3-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(4-chlorobenzoyl)imino-5-phenyl-7-(4-sulfamoylphenyl)pyrrolo[2,3-d]pyrimidin-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-(4-chlorobenzoyl)imino-5-phenyl-7-(4-sulfamoylphenyl)pyrrolo[2,3-d]pyrimidin-3-yl]benzamide (CID 24882541) is 4-chloro-N-[4-(4-chlorobenzoyl)imino-5-phenyl-7-(4-sulfamoylphenyl)pyrrolo[2,3-d]pyrimidin-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(4-chlorobenzoyl)imino-5-phenyl-7-(4-sulfamoylphenyl)pyrrolo[2,3-d]pyrimidin-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(4-chlorobenzoyl)imino-5-phenyl-7-(4-sulfamoylphenyl)pyrrolo[2,3-d]pyrimidin-3-yl]benzamide is NS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)c3/c(=N/C(=O)c4ccc(Cl)cc4)n(NC(=O)c4ccc(Cl)cc4)cnc32)cc1.
What is the InChIKey of 4-chloro-N-[4-(4-chlorobenzoyl)imino-5-phenyl-7-(4-sulfamoylphenyl)pyrrolo[2,3-d]pyrimidin-3-yl]benzamide?
The InChIKey is LJMMLBKWLIXLJN-ONQIKCEGSA-N. The full InChI is InChI=1S/C32H22Cl2N6O4S/c33-23-10-6-21(7-11-23)31(41)37-30-28-27(20-4-2-1-3-5-20)18-39(25-14-16-26(17-15-25)45(35,43)44)29(28)36-19-40(30)38-32(42)22-8-12-24(34)13-9-22/h1-19H,(H,38,42)(H2,35,43,44)/b37-30-.
What are the key properties of 4-chloro-N-[4-(4-chlorobenzoyl)imino-5-phenyl-7-(4-sulfamoylphenyl)pyrrolo[2,3-d]pyrimidin-3-yl]benzamide?
4-chloro-N-[4-(4-chlorobenzoyl)imino-5-phenyl-7-(4-sulfamoylphenyl)pyrrolo[2,3-d]pyrimidin-3-yl]benzamide has a molecular weight of 657.54 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(4-chlorobenzoyl)imino-5-phenyl-7-(4-sulfamoylphenyl)pyrrolo[2,3-d]pyrimidin-3-yl]benzamide is sourced from PubChem (CID 24882541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).