CID 134852365

C15H13ClNO3S — CID 134852365

IUPAC—
SMILESO=[S](=O)N1OC(c2ccc(Cl)cc2)CC1c1ccccc1
InChIInChI=1S/C15H13ClNO3S/c16-13-8-6-12(7-9-13)15-10-14(17(20-15)21(18)19)11-4-2-1-3-5-11/h1-9,14-15H,10H2
InChIKeyFCNFYKVELWGQHD-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.55
Rot. Bonds3

About CID 134852365

CID 134852365 (PubChem CID 134852365) has the molecular formula C15H13ClNO3S and a molecular weight of 322.79 g/mol.

Molecular Properties

Compound NameCID 134852365
PubChem CID134852365
Molecular FormulaC15H13ClNO3S
Molecular Weight322.79 g/mol
Exact Mass322.03
IUPAC Name—
SMILESO=[S](=O)N1OC(c2ccc(Cl)cc2)CC1c1ccccc1
InChIInChI=1S/C15H13ClNO3S/c16-13-8-6-12(7-9-13)15-10-14(17(20-15)21(18)19)11-4-2-1-3-5-11/h1-9,14-15H,10H2
InChIKeyFCNFYKVELWGQHD-UHFFFAOYSA-N
XLogP3.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze CID 134852365 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 134852365?
The IUPAC name of CID 134852365 (CID 134852365) is not available.
What is the SMILES notation for CID 134852365?
The canonical SMILES for CID 134852365 is O=[S](=O)N1OC(c2ccc(Cl)cc2)CC1c1ccccc1.
What is the InChIKey of CID 134852365?
The InChIKey is FCNFYKVELWGQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClNO3S/c16-13-8-6-12(7-9-13)15-10-14(17(20-15)21(18)19)11-4-2-1-3-5-11/h1-9,14-15H,10H2.
What are the key properties of CID 134852365?
CID 134852365 has a molecular weight of 322.79 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134852365 is sourced from PubChem (CID 134852365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).