sodium 5-[3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene

C24H16ClN4NaOS — CID 23684407

About sodium 5-[3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene

sodium 5-[3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene (PubChem CID 23684407) has the molecular formula C24H16ClN4NaOS and a molecular weight of 466.93 g/mol. Its IUPAC name is sodium 5-[3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene.

Molecular Properties

• Compound Name: sodium 5-[3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
• PubChem CID: 23684407
• Molecular Formula: C24H16ClN4NaOS
• Molecular Weight: 466.93 g/mol
• Exact Mass: 466.06
• IUPAC Name: sodium 5-[3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
• SMILES: Clc1ccc(OCc2ccccc2)c(-c2ccsc2-c2cccc(-c3nnn[n-]3)c2)c1.[Na+]
• InChI: InChI=1S/C24H16ClN4OS.Na/c25-19-9-10-22(30-15-16-5-2-1-3-6-16)21(14-19)20-11-12-31-23(20)17-7-4-8-18(13-17)24-26-28-29-27-24;/h1-14H,15H2;/q-1;+1
• InChIKey: HUSUUDWMYHRBEM-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 62.00 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.93
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of sodium 5-[3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene?

The IUPAC name of sodium 5-[3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene (CID 23684407) is sodium 5-[3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene.

What is the SMILES notation for sodium 5-[3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene?

The canonical SMILES for sodium 5-[3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene is Clc1ccc(OCc2ccccc2)c(-c2ccsc2-c2cccc(-c3nnn[n-]3)c2)c1.[Na+].

What is the InChIKey of sodium 5-[3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene?

The InChIKey is HUSUUDWMYHRBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN4OS.Na/c25-19-9-10-22(30-15-16-5-2-1-3-6-16)21(14-19)20-11-12-31-23(20)17-7-4-8-18(13-17)24-26-28-29-27-24;/h1-14H,15H2;/q-1;+1.

What are the key properties of sodium 5-[3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene?

sodium 5-[3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene has a molecular weight of 466.93 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for sodium 5-[3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene is sourced from PubChem (CID 23684407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).