3,4-dichloro-N-[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide

C15H7Cl4N3O2S — CID 135491768

About 3,4-dichloro-N-[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide

3,4-dichloro-N-[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 135491768) has the molecular formula C15H7Cl4N3O2S and a molecular weight of 435.12 g/mol. Its IUPAC name is 3,4-dichloro-N-[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 3,4-dichloro-N-[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
• PubChem CID: 135491768
• Molecular Formula: C15H7Cl4N3O2S
• Molecular Weight: 435.12 g/mol
• Exact Mass: 432.90
• IUPAC Name: 3,4-dichloro-N-[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
• SMILES: O=C(Nc1nnc(-c2cc(Cl)cc(Cl)c2O)s1)c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C15H7Cl4N3O2S/c16-7-4-8(12(23)11(19)5-7)14-21-22-15(25-14)20-13(24)6-1-2-9(17)10(18)3-6/h1-5,23H,(H,20,22,24)
• InChIKey: NIEWUJRLGFOIPW-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 75.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.12
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide?

The IUPAC name of 3,4-dichloro-N-[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 135491768) is 3,4-dichloro-N-[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide.

What is the SMILES notation for 3,4-dichloro-N-[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide?

The canonical SMILES for 3,4-dichloro-N-[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2cc(Cl)cc(Cl)c2O)s1)c1ccc(Cl)c(Cl)c1.

What is the InChIKey of 3,4-dichloro-N-[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide?

The InChIKey is NIEWUJRLGFOIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl4N3O2S/c16-7-4-8(12(23)11(19)5-7)14-21-22-15(25-14)20-13(24)6-1-2-9(17)10(18)3-6/h1-5,23H,(H,20,22,24).

What are the key properties of 3,4-dichloro-N-[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide?

3,4-dichloro-N-[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 435.12 g/mol, XLogP of 5.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dichloro-N-[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 135491768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).