5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[S-methyl-N-[2-(4-methylpiperazin-1-yl)acetyl]sulfonimidoyl]benzoyl]amino]benzamide

C27H28Cl2N6O4S — CID 25269875

IUPAC5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[S-methyl-N-[2-(4-methylpiperazin-1-yl)acetyl]sulfonimidoyl]benzoyl]amino]benzamide
SMILESCN1CCN(CC(=O)N=S(C)(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1
InChIInChI=1S/C27H28Cl2N6O4S/c1-34-11-13-35(14-12-34)17-25(36)33-40(2,39)21-7-3-18(4-8-21)26(37)31-23-9-5-19(28)15-22(23)27(38)32-24-10-6-20(29)16-30-24/h3-10,15-16H,11-14,17H2,1-2H3,(H,31,37)(H,30,32,38)
InChIKeyAQBNCZQUYGZHCU-UHFFFAOYSA-N
MW603.53 g/mol
LogP4.12
Rot. Bonds7

About 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[S-methyl-N-[2-(4-methylpiperazin-1-yl)acetyl]sulfonimidoyl]benzoyl]amino]benzamide

5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[S-methyl-N-[2-(4-methylpiperazin-1-yl)acetyl]sulfonimidoyl]benzoyl]amino]benzamide (PubChem CID 25269875) has the molecular formula C27H28Cl2N6O4S and a molecular weight of 603.53 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[S-methyl-N-[2-(4-methylpiperazin-1-yl)acetyl]sulfonimidoyl]benzoyl]amino]benzamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[S-methyl-N-[2-(4-methylpiperazin-1-yl)acetyl]sulfonimidoyl]benzoyl]amino]benzamide
PubChem CID25269875
Molecular FormulaC27H28Cl2N6O4S
Molecular Weight603.53 g/mol
Exact Mass602.13
IUPAC Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[S-methyl-N-[2-(4-methylpiperazin-1-yl)acetyl]sulfonimidoyl]benzoyl]amino]benzamide
SMILESCN1CCN(CC(=O)N=S(C)(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1
InChIInChI=1S/C27H28Cl2N6O4S/c1-34-11-13-35(14-12-34)17-25(36)33-40(2,39)21-7-3-18(4-8-21)26(37)31-23-9-5-19(28)15-22(23)27(38)32-24-10-6-20(29)16-30-24/h3-10,15-16H,11-14,17H2,1-2H3,(H,31,37)(H,30,32,38)
InChIKeyAQBNCZQUYGZHCU-UHFFFAOYSA-N
XLogP4.12
TPSA124.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.53
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[S-methyl-N-[2-(4-methylpiperazin-1-yl)acetyl]sulfonimidoyl]benzoyl]amino]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 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[S-methyl-N-[2-(4-methylpiperazin-1-yl)acetyl]sulfonimidoyl]benzoyl]amino]benzamide?
The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[S-methyl-N-[2-(4-methylpiperazin-1-yl)acetyl]sulfonimidoyl]benzoyl]amino]benzamide (CID 25269875) is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[S-methyl-N-[2-(4-methylpiperazin-1-yl)acetyl]sulfonimidoyl]benzoyl]amino]benzamide.
What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[S-methyl-N-[2-(4-methylpiperazin-1-yl)acetyl]sulfonimidoyl]benzoyl]amino]benzamide?
The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[S-methyl-N-[2-(4-methylpiperazin-1-yl)acetyl]sulfonimidoyl]benzoyl]amino]benzamide is CN1CCN(CC(=O)N=S(C)(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1.
What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[S-methyl-N-[2-(4-methylpiperazin-1-yl)acetyl]sulfonimidoyl]benzoyl]amino]benzamide?
The InChIKey is AQBNCZQUYGZHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N6O4S/c1-34-11-13-35(14-12-34)17-25(36)33-40(2,39)21-7-3-18(4-8-21)26(37)31-23-9-5-19(28)15-22(23)27(38)32-24-10-6-20(29)16-30-24/h3-10,15-16H,11-14,17H2,1-2H3,(H,31,37)(H,30,32,38).
What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[S-methyl-N-[2-(4-methylpiperazin-1-yl)acetyl]sulfonimidoyl]benzoyl]amino]benzamide?
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[S-methyl-N-[2-(4-methylpiperazin-1-yl)acetyl]sulfonimidoyl]benzoyl]amino]benzamide has a molecular weight of 603.53 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[S-methyl-N-[2-(4-methylpiperazin-1-yl)acetyl]sulfonimidoyl]benzoyl]amino]benzamide is sourced from PubChem (CID 25269875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).