2-(benzenesulfonyl)ethylsulfanylbenzene

C14H14O2S2 — CID 737205

IUPAC2-(benzenesulfonyl)ethylsulfanylbenzene
SMILESO=S(=O)(CCSc1ccccc1)c1ccccc1
InChIInChI=1S/C14H14O2S2/c15-18(16,14-9-5-2-6-10-14)12-11-17-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyHVRFBKAMRWDDMG-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.25
Rot. Bonds5

About 2-(benzenesulfonyl)ethylsulfanylbenzene

2-(benzenesulfonyl)ethylsulfanylbenzene (PubChem CID 737205) has the molecular formula C14H14O2S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(benzenesulfonyl)ethylsulfanylbenzene.

Molecular Properties

Compound Name2-(benzenesulfonyl)ethylsulfanylbenzene
PubChem CID737205
Molecular FormulaC14H14O2S2
Molecular Weight278.40 g/mol
Exact Mass278.04
IUPAC Name2-(benzenesulfonyl)ethylsulfanylbenzene
SMILESO=S(=O)(CCSc1ccccc1)c1ccccc1
InChIInChI=1S/C14H14O2S2/c15-18(16,14-9-5-2-6-10-14)12-11-17-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyHVRFBKAMRWDDMG-UHFFFAOYSA-N
XLogP3.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylsulfanylethanesulfonyl chloride
CID 13418706
N,N-dimethyl-2-phenylsulfanylethanesulfonamide
CID 175834515
1-[2-(benzenesulfonyl)ethyl]-2-methyl-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111372494
1-[2-(4-chlorophenyl)sulfanylethylsulfonyl]-4-methylbenzene
CID 2818837
2-(2-methylpropylsulfanyl)ethylsulfonylbenzene
CID 13394546
5-fluoro-2-(2-phenylsulfanylethylsulfonyl)aniline
CID 81184875
2-fluoroethylsulfonylbenzene
CID 66796542
3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 9258901
2-(benzenesulfonyl)ethoxy-dimethylazanium
CID 173223937
4-[2-(4-fluorophenyl)sulfanylethylsulfonyl]benzonitrile
CID 79591983
2-[2-(benzenesulfonyl)ethylsulfanyl]-1-methyl-5-phenylimidazole
CID 37148555
3-[2-(4-methylphenyl)sulfanylethylsulfonyl]benzonitrile
CID 115563392

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)ethylsulfanylbenzene?
The IUPAC name of 2-(benzenesulfonyl)ethylsulfanylbenzene (CID 737205) is 2-(benzenesulfonyl)ethylsulfanylbenzene.
What is the SMILES notation for 2-(benzenesulfonyl)ethylsulfanylbenzene?
The canonical SMILES for 2-(benzenesulfonyl)ethylsulfanylbenzene is O=S(=O)(CCSc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)ethylsulfanylbenzene?
The InChIKey is HVRFBKAMRWDDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S2/c15-18(16,14-9-5-2-6-10-14)12-11-17-13-7-3-1-4-8-13/h1-10H,11-12H2.
What are the key properties of 2-(benzenesulfonyl)ethylsulfanylbenzene?
2-(benzenesulfonyl)ethylsulfanylbenzene has a molecular weight of 278.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)ethylsulfanylbenzene is sourced from PubChem (CID 737205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).