CID 89357786

C24H24BN5O2S — CID 89357786

IUPAC—
SMILES[B]c1cnn2c(Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C24H24BN5O2S/c25-21-16-26-30-23(15-22(28-24(21)30)17-7-3-1-4-8-17)27-18-11-13-20(14-12-18)33(31,32)29-19-9-5-2-6-10-19/h1,3-4,7-8,11-16,19,27,29H,2,5-6,9-10H2
InChIKeyOZAYZFNFEZHOQY-UHFFFAOYSA-N
MW457.37 g/mol
LogP3.54
Rot. Bonds6

About CID 89357786

CID 89357786 (PubChem CID 89357786) has the molecular formula C24H24BN5O2S and a molecular weight of 457.37 g/mol.

Molecular Properties

Compound NameCID 89357786
PubChem CID89357786
Molecular FormulaC24H24BN5O2S
Molecular Weight457.37 g/mol
Exact Mass457.17
IUPAC Name—
SMILES[B]c1cnn2c(Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C24H24BN5O2S/c25-21-16-26-30-23(15-22(28-24(21)30)17-7-3-1-4-8-17)27-18-11-13-20(14-12-18)33(31,32)29-19-9-5-2-6-10-19/h1,3-4,7-8,11-16,19,27,29H,2,5-6,9-10H2
InChIKeyOZAYZFNFEZHOQY-UHFFFAOYSA-N
XLogP3.54
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 89357786?
The IUPAC name of CID 89357786 (CID 89357786) is not available.
What is the SMILES notation for CID 89357786?
The canonical SMILES for CID 89357786 is [B]c1cnn2c(Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc(-c3ccccc3)nc12.
What is the InChIKey of CID 89357786?
The InChIKey is OZAYZFNFEZHOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BN5O2S/c25-21-16-26-30-23(15-22(28-24(21)30)17-7-3-1-4-8-17)27-18-11-13-20(14-12-18)33(31,32)29-19-9-5-2-6-10-19/h1,3-4,7-8,11-16,19,27,29H,2,5-6,9-10H2.
What are the key properties of CID 89357786?
CID 89357786 has a molecular weight of 457.37 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89357786 is sourced from PubChem (CID 89357786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).