2,4-dichloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide

C20H14Cl3N3O2S — CID 18912590

About 2,4-dichloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide

2,4-dichloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide (PubChem CID 18912590) has the molecular formula C20H14Cl3N3O2S and a molecular weight of 466.78 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
• PubChem CID: 18912590
• Molecular Formula: C20H14Cl3N3O2S
• Molecular Weight: 466.78 g/mol
• Exact Mass: 464.99
• IUPAC Name: 2,4-dichloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
• SMILES: O=C(CSc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)Nc1ccc(Cl)cn1
• InChI: InChI=1S/C20H14Cl3N3O2S/c21-12-4-6-16(17(23)8-12)20(28)25-14-2-1-3-15(9-14)29-11-19(27)26-18-7-5-13(22)10-24-18/h1-10H,11H2,(H,25,28)(H,24,26,27)
• InChIKey: KIEFBSVDGXCTGN-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.78
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide?

The IUPAC name of 2,4-dichloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide (CID 18912590) is 2,4-dichloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide.

What is the SMILES notation for 2,4-dichloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide?

The canonical SMILES for 2,4-dichloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide is O=C(CSc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)Nc1ccc(Cl)cn1.

What is the InChIKey of 2,4-dichloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide?

The InChIKey is KIEFBSVDGXCTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl3N3O2S/c21-12-4-6-16(17(23)8-12)20(28)25-14-2-1-3-15(9-14)29-11-19(27)26-18-7-5-13(22)10-24-18/h1-10H,11H2,(H,25,28)(H,24,26,27).

What are the key properties of 2,4-dichloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide?

2,4-dichloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide has a molecular weight of 466.78 g/mol, XLogP of 6.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18912590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).