1-(benzenesulfonyl)ethylsulfanylbenzene

C14H14O2S2 — CID 10869623

IUPAC1-(benzenesulfonyl)ethylsulfanylbenzene
SMILESCC(Sc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14O2S2/c1-12(17-13-8-4-2-5-9-13)18(15,16)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeySTIFUHHXFBVHGZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.60
Rot. Bonds4

About 1-(benzenesulfonyl)ethylsulfanylbenzene

1-(benzenesulfonyl)ethylsulfanylbenzene (PubChem CID 10869623) has the molecular formula C14H14O2S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(benzenesulfonyl)ethylsulfanylbenzene.

Molecular Properties

Compound Name1-(benzenesulfonyl)ethylsulfanylbenzene
PubChem CID10869623
Molecular FormulaC14H14O2S2
Molecular Weight278.40 g/mol
Exact Mass278.04
IUPAC Name1-(benzenesulfonyl)ethylsulfanylbenzene
SMILESCC(Sc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14O2S2/c1-12(17-13-8-4-2-5-9-13)18(15,16)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeySTIFUHHXFBVHGZ-UHFFFAOYSA-N
XLogP3.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-isocyanoethylsulfonylbenzene
CID 141249336
[(E)-3-(benzenesulfonyl)-1-methoxyhex-4-enyl]sulfanylbenzene
CID 134905648
1-bromoethylsulfonylbenzene
CID 13411545
2,7-bis(benzenesulfonyl)octane-4,5-diol
CID 86168417
2-(benzenesulfonyl)-1-(4-methoxyphenyl)-2-phenylsulfanylethanone
CID 175249791
3,3-dimethyl-1-(4-methylphenyl)sulfonyl-1-phenylsulfanylbutan-2-one
CID 15700556
1,2-bis(benzenesulfonyl)ethane-1,2-diol
CID 158874761
[(Z)-pent-3-en-2-yl]sulfonylbenzene
CID 146400079
1-(benzenesulfonyl)-1-chloropropan-2-ol
CID 70438780
4-(benzenesulfonyl)pentan-2-ol
CID 12920591
2-(benzenesulfonyl)pentan-3-ol
CID 62918399
1-methylsulfanylpropylsulfonylbenzene
CID 10680987

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)ethylsulfanylbenzene?
The IUPAC name of 1-(benzenesulfonyl)ethylsulfanylbenzene (CID 10869623) is 1-(benzenesulfonyl)ethylsulfanylbenzene.
What is the SMILES notation for 1-(benzenesulfonyl)ethylsulfanylbenzene?
The canonical SMILES for 1-(benzenesulfonyl)ethylsulfanylbenzene is CC(Sc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)ethylsulfanylbenzene?
The InChIKey is STIFUHHXFBVHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S2/c1-12(17-13-8-4-2-5-9-13)18(15,16)14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of 1-(benzenesulfonyl)ethylsulfanylbenzene?
1-(benzenesulfonyl)ethylsulfanylbenzene has a molecular weight of 278.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)ethylsulfanylbenzene is sourced from PubChem (CID 10869623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).