CID 88588324

C14H10BNO2S — CID 88588324

IUPAC—
SMILES[B]c1cc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H10BNO2S/c15-14-10-11-6-4-5-9-13(11)16(14)19(17,18)12-7-2-1-3-8-12/h1-10H
InChIKeyUYYLBSUWSNZJPH-UHFFFAOYSA-N
MW267.12 g/mol
LogP1.67
Rot. Bonds2

About CID 88588324

CID 88588324 (PubChem CID 88588324) has the molecular formula C14H10BNO2S and a molecular weight of 267.12 g/mol.

Molecular Properties

Compound NameCID 88588324
PubChem CID88588324
Molecular FormulaC14H10BNO2S
Molecular Weight267.12 g/mol
Exact Mass267.05
IUPAC Name—
SMILES[B]c1cc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H10BNO2S/c15-14-10-11-6-4-5-9-13(11)16(14)19(17,18)12-7-2-1-3-8-12/h1-10H
InChIKeyUYYLBSUWSNZJPH-UHFFFAOYSA-N
XLogP1.67
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 88588324 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 88588324?
The IUPAC name of CID 88588324 (CID 88588324) is not available.
What is the SMILES notation for CID 88588324?
The canonical SMILES for CID 88588324 is [B]c1cc2ccccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of CID 88588324?
The InChIKey is UYYLBSUWSNZJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BNO2S/c15-14-10-11-6-4-5-9-13(11)16(14)19(17,18)12-7-2-1-3-8-12/h1-10H.
What are the key properties of CID 88588324?
CID 88588324 has a molecular weight of 267.12 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88588324 is sourced from PubChem (CID 88588324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).