2-chloro-4-fluoro-1-[(2-methylphenyl)methylsulfinylmethyl]benzene

C15H14ClFOS — CID 47022748

IUPAC2-chloro-4-fluoro-1-[(2-methylphenyl)methylsulfinylmethyl]benzene
SMILESCc1ccccc1CS(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H14ClFOS/c1-11-4-2-3-5-12(11)9-19(18)10-13-6-7-14(17)8-15(13)16/h2-8H,9-10H2,1H3
InChIKeyHZMJNRBFJHEVRF-UHFFFAOYSA-N
MW296.79 g/mol
LogP4.24
Rot. Bonds4

About 2-chloro-4-fluoro-1-[(2-methylphenyl)methylsulfinylmethyl]benzene

2-chloro-4-fluoro-1-[(2-methylphenyl)methylsulfinylmethyl]benzene (PubChem CID 47022748) has the molecular formula C15H14ClFOS and a molecular weight of 296.79 g/mol. Its IUPAC name is 2-chloro-4-fluoro-1-[(2-methylphenyl)methylsulfinylmethyl]benzene.

Molecular Properties

Compound Name2-chloro-4-fluoro-1-[(2-methylphenyl)methylsulfinylmethyl]benzene
PubChem CID47022748
Molecular FormulaC15H14ClFOS
Molecular Weight296.79 g/mol
Exact Mass296.04
IUPAC Name2-chloro-4-fluoro-1-[(2-methylphenyl)methylsulfinylmethyl]benzene
SMILESCc1ccccc1CS(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H14ClFOS/c1-11-4-2-3-5-12(11)9-19(18)10-13-6-7-14(17)8-15(13)16/h2-8H,9-10H2,1H3
InChIKeyHZMJNRBFJHEVRF-UHFFFAOYSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-chloro-4-fluoro-1-[(2-methylphenyl)methylsulfinylmethyl]benzene 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 2-chloro-4-fluoro-1-[(2-methylphenyl)methylsulfinylmethyl]benzene?
The IUPAC name of 2-chloro-4-fluoro-1-[(2-methylphenyl)methylsulfinylmethyl]benzene (CID 47022748) is 2-chloro-4-fluoro-1-[(2-methylphenyl)methylsulfinylmethyl]benzene.
What is the SMILES notation for 2-chloro-4-fluoro-1-[(2-methylphenyl)methylsulfinylmethyl]benzene?
The canonical SMILES for 2-chloro-4-fluoro-1-[(2-methylphenyl)methylsulfinylmethyl]benzene is Cc1ccccc1CS(=O)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-1-[(2-methylphenyl)methylsulfinylmethyl]benzene?
The InChIKey is HZMJNRBFJHEVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFOS/c1-11-4-2-3-5-12(11)9-19(18)10-13-6-7-14(17)8-15(13)16/h2-8H,9-10H2,1H3.
What are the key properties of 2-chloro-4-fluoro-1-[(2-methylphenyl)methylsulfinylmethyl]benzene?
2-chloro-4-fluoro-1-[(2-methylphenyl)methylsulfinylmethyl]benzene has a molecular weight of 296.79 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-1-[(2-methylphenyl)methylsulfinylmethyl]benzene is sourced from PubChem (CID 47022748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).