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

C15H15ClO2S2 — CID 2818837

IUPAC1-[2-(4-chlorophenyl)sulfanylethylsulfonyl]-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)CCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClO2S2/c1-12-2-8-15(9-3-12)20(17,18)11-10-19-14-6-4-13(16)5-7-14/h2-9H,10-11H2,1H3
InChIKeyHGNMJILZSFHVMX-UHFFFAOYSA-N
MW326.87 g/mol
LogP4.21
Rot. Bonds5

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

1-[2-(4-chlorophenyl)sulfanylethylsulfonyl]-4-methylbenzene (PubChem CID 2818837) has the molecular formula C15H15ClO2S2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfanylethylsulfonyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfanylethylsulfonyl]-4-methylbenzene
PubChem CID2818837
Molecular FormulaC15H15ClO2S2
Molecular Weight326.87 g/mol
Exact Mass326.02
IUPAC Name1-[2-(4-chlorophenyl)sulfanylethylsulfonyl]-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)CCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClO2S2/c1-12-2-8-15(9-3-12)20(17,18)11-10-19-14-6-4-13(16)5-7-14/h2-9H,10-11H2,1H3
InChIKeyHGNMJILZSFHVMX-UHFFFAOYSA-N
XLogP4.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-methylaniline
CID 43302585
3-[2-(4-methylphenyl)sulfanylethylsulfonyl]benzonitrile
CID 115563392
2-(benzenesulfonyl)ethylsulfanylbenzene
CID 737205
1-(2-tert-butylsulfanylethylsulfonyl)-4-methylbenzene
CID 71325415
2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 2821450
1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
CID 5128073
4-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide
CID 55904601
1-chloro-4-[2-[2-(4-chlorophenyl)sulfonylethylperoxy]ethylsulfonyl]benzene
CID 71390594
1-methyl-4-[16-(4-methylphenyl)sulfonylhexadecylsulfonyl]benzene
CID 67740861
1-methyl-4-[19-(4-methylphenyl)sulfonylnonadecylsulfonyl]benzene
CID 67740848
4-chloro-N-[2-(4-methylphenyl)sulfanylethyl]aniline
CID 63517735
1-chloro-4-[(4-methylphenyl)sulfanylmethyl]benzene
CID 11701538

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfanylethylsulfonyl]-4-methylbenzene?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfanylethylsulfonyl]-4-methylbenzene (CID 2818837) is 1-[2-(4-chlorophenyl)sulfanylethylsulfonyl]-4-methylbenzene.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfanylethylsulfonyl]-4-methylbenzene?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfanylethylsulfonyl]-4-methylbenzene is Cc1ccc(S(=O)(=O)CCSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfanylethylsulfonyl]-4-methylbenzene?
The InChIKey is HGNMJILZSFHVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2S2/c1-12-2-8-15(9-3-12)20(17,18)11-10-19-14-6-4-13(16)5-7-14/h2-9H,10-11H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)sulfanylethylsulfonyl]-4-methylbenzene?
1-[2-(4-chlorophenyl)sulfanylethylsulfonyl]-4-methylbenzene has a molecular weight of 326.87 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfanylethylsulfonyl]-4-methylbenzene is sourced from PubChem (CID 2818837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).