CID 87562735

C10H7ClKO3S — CID 87562735

IUPAC—
SMILESO=S(=O)(O)c1c(Cl)ccc2ccccc12.[K]
InChIInChI=1S/C10H7ClO3S.K/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14;/h1-6H,(H,12,13,14);
InChIKeyTZILTEVVMAEYFA-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.36
Rot. Bonds1

About CID 87562735

CID 87562735 (PubChem CID 87562735) has the molecular formula C10H7ClKO3S and a molecular weight of 281.78 g/mol.

Molecular Properties

Compound NameCID 87562735
PubChem CID87562735
Molecular FormulaC10H7ClKO3S
Molecular Weight281.78 g/mol
Exact Mass280.94
IUPAC Name—
SMILESO=S(=O)(O)c1c(Cl)ccc2ccccc12.[K]
InChIInChI=1S/C10H7ClO3S.K/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14;/h1-6H,(H,12,13,14);
InChIKeyTZILTEVVMAEYFA-UHFFFAOYSA-N
XLogP2.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze CID 87562735 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 87562735?
The IUPAC name of CID 87562735 (CID 87562735) is not available.
What is the SMILES notation for CID 87562735?
The canonical SMILES for CID 87562735 is O=S(=O)(O)c1c(Cl)ccc2ccccc12.[K].
What is the InChIKey of CID 87562735?
The InChIKey is TZILTEVVMAEYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO3S.K/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14;/h1-6H,(H,12,13,14);.
What are the key properties of CID 87562735?
CID 87562735 has a molecular weight of 281.78 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87562735 is sourced from PubChem (CID 87562735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).