1-benzylsulfinyl-4-chlorobenzene

C13H11ClOS — CID 2794037

IUPAC1-benzylsulfinyl-4-chlorobenzene
SMILESO=S(Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClOS/c14-12-6-8-13(9-7-12)16(15)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyRCZBGTZOSYGDPR-UHFFFAOYSA-N
MW250.75 g/mol
LogP3.65
Rot. Bonds3

About 1-benzylsulfinyl-4-chlorobenzene

1-benzylsulfinyl-4-chlorobenzene (PubChem CID 2794037) has the molecular formula C13H11ClOS and a molecular weight of 250.75 g/mol. Its IUPAC name is 1-benzylsulfinyl-4-chlorobenzene.

Molecular Properties

Compound Name1-benzylsulfinyl-4-chlorobenzene
PubChem CID2794037
Molecular FormulaC13H11ClOS
Molecular Weight250.75 g/mol
Exact Mass250.02
IUPAC Name1-benzylsulfinyl-4-chlorobenzene
SMILESO=S(Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClOS/c14-12-6-8-13(9-7-12)16(15)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyRCZBGTZOSYGDPR-UHFFFAOYSA-N
XLogP3.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-benzylsulfinyl-4-chlorobenzene 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 1-benzylsulfinyl-4-chlorobenzene?
The IUPAC name of 1-benzylsulfinyl-4-chlorobenzene (CID 2794037) is 1-benzylsulfinyl-4-chlorobenzene.
What is the SMILES notation for 1-benzylsulfinyl-4-chlorobenzene?
The canonical SMILES for 1-benzylsulfinyl-4-chlorobenzene is O=S(Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-benzylsulfinyl-4-chlorobenzene?
The InChIKey is RCZBGTZOSYGDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClOS/c14-12-6-8-13(9-7-12)16(15)10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 1-benzylsulfinyl-4-chlorobenzene?
1-benzylsulfinyl-4-chlorobenzene has a molecular weight of 250.75 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfinyl-4-chlorobenzene is sourced from PubChem (CID 2794037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).