1-[(4-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene

C15H15ClOS — CID 47022745

IUPAC1-[(4-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene
SMILESCc1ccccc1CS(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClOS/c1-12-4-2-3-5-14(12)11-18(17)10-13-6-8-15(16)9-7-13/h2-9H,10-11H2,1H3
InChIKeyXXGMCRSJHJXGPZ-UHFFFAOYSA-N
MW278.80 g/mol
LogP4.10
Rot. Bonds4

About 1-[(4-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene

1-[(4-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene (PubChem CID 47022745) has the molecular formula C15H15ClOS and a molecular weight of 278.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene
PubChem CID47022745
Molecular FormulaC15H15ClOS
Molecular Weight278.80 g/mol
Exact Mass278.05
IUPAC Name1-[(4-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene
SMILESCc1ccccc1CS(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClOS/c1-12-4-2-3-5-14(12)11-18(17)10-13-6-8-15(16)9-7-13/h2-9H,10-11H2,1H3
InChIKeyXXGMCRSJHJXGPZ-UHFFFAOYSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.80
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(4-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene with MolForge

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

Launch Full Analysis

Related Compounds

1-[(3-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene
CID 51113106
1-(benzylsulfinylmethyl)-4-chlorobenzene
CID 12907855
[2-fluoro-5-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine
CID 107881573
2-[(2-methylphenyl)methylsulfinyl]ethanamine
CID 62769461
2-[(4-chlorophenyl)methylsulfinyl]-1-(2-methylphenyl)ethanamine
CID 114792211
1-tert-butyl-4-[[(S)-(4-chlorophenyl)methylsulfinyl]methyl]benzene
CID 52513153
2-[(4-chlorophenyl)methylsulfinyl]-N-methyl-1-(2-methylphenyl)ethanamine
CID 114792133
1-methyl-2-[4-[[4-(2-methylphenyl)phenyl]methylsulfinylmethyl]phenyl]benzene
CID 70431947
2-[2-[(4-chlorophenyl)methylsulfinyl]ethyl]aniline
CID 114790905
(4-chlorophenyl)methyl-[(2-methylphenyl)methyl]azanium
CID 8898295
1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 8898296
1-methyl-2-(3-phenylpropylsulfinylmethyl)benzene
CID 91641452

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene (CID 47022745) is 1-[(4-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene is Cc1ccccc1CS(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene?
The InChIKey is XXGMCRSJHJXGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClOS/c1-12-4-2-3-5-14(12)11-18(17)10-13-6-8-15(16)9-7-13/h2-9H,10-11H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene?
1-[(4-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene has a molecular weight of 278.80 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene is sourced from PubChem (CID 47022745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).