CID 22974341

C₂₄H₂₂AlN₂O₃S — CID 22974341

About CID 22974341

CID 22974341 (PubChem CID 22974341) has the molecular formula C₂₄H₂₂AlN₂O₃S and a molecular weight of 445.50 g/mol.

Molecular Properties

• Compound Name: CID 22974341
• PubChem CID: 22974341
• Molecular Formula: C₂₄H₂₂AlN₂O₃S
• Molecular Weight: 445.50 g/mol
• Exact Mass: 445.12
• IUPAC Name: —
• SMILES: Cc1ccc2cccc(N([Al]Oc3c(C)cccc3C)S(=O)(=O)c3ccccc3)c2n1
• InChI: InChI=1S/C16H13N2O2S.C8H10O.Al/c1-12-10-11-13-6-5-9-15(16(13)17-12)18-21(19,20)14-7-3-2-4-8-14;1-6-4-3-5-7(2)8(6)9;/h2-11H,1H3;3-5,9H,1-2H3;/q-1;;+2/p-1
• InChIKey: GRDYFIXVXPXVAE-UHFFFAOYSA-M
• XLogP: 4.97
• TPSA: 59.50 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.50
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of CID 22974341?

The IUPAC name of CID 22974341 (CID 22974341) is not available.

What is the SMILES notation for CID 22974341?

The canonical SMILES for CID 22974341 is Cc1ccc2cccc(N([Al]Oc3c(C)cccc3C)S(=O)(=O)c3ccccc3)c2n1.

What is the InChIKey of CID 22974341?

The InChIKey is GRDYFIXVXPXVAE-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13N2O2S.C8H10O.Al/c1-12-10-11-13-6-5-9-15(16(13)17-12)18-21(19,20)14-7-3-2-4-8-14;1-6-4-3-5-7(2)8(6)9;/h2-11H,1H3;3-5,9H,1-2H3;/q-1;;+2/p-1.

What are the key properties of CID 22974341?

CID 22974341 has a molecular weight of 445.50 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for CID 22974341 is sourced from PubChem (CID 22974341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 22974341 — identifiers, structure, computed properties (public domain)

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