2-[[(Z)-2-(4-methylphenyl)sulfonylethenyl]sulfanylmethyl]furan

C14H14O3S2 — CID 10851342

IUPAC2-[[(Z)-2-(4-methylphenyl)sulfonylethenyl]sulfanylmethyl]furan
SMILESCc1ccc(S(=O)(=O)/C=C\SCc2ccco2)cc1
InChIInChI=1S/C14H14O3S2/c1-12-4-6-14(7-5-12)19(15,16)10-9-18-11-13-3-2-8-17-13/h2-10H,11H2,1H3/b10-9-
InChIKeyIYMZDKWQQDGHRY-KTKRTIGZSA-N
MW294.40 g/mol
LogP3.77
Rot. Bonds5

About 2-[[(Z)-2-(4-methylphenyl)sulfonylethenyl]sulfanylmethyl]furan

2-[[(Z)-2-(4-methylphenyl)sulfonylethenyl]sulfanylmethyl]furan (PubChem CID 10851342) has the molecular formula C14H14O3S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[[(Z)-2-(4-methylphenyl)sulfonylethenyl]sulfanylmethyl]furan.

Molecular Properties

Compound Name2-[[(Z)-2-(4-methylphenyl)sulfonylethenyl]sulfanylmethyl]furan
PubChem CID10851342
Molecular FormulaC14H14O3S2
Molecular Weight294.40 g/mol
Exact Mass294.04
IUPAC Name2-[[(Z)-2-(4-methylphenyl)sulfonylethenyl]sulfanylmethyl]furan
SMILESCc1ccc(S(=O)(=O)/C=C\SCc2ccco2)cc1
InChIInChI=1S/C14H14O3S2/c1-12-4-6-14(7-5-12)19(15,16)10-9-18-11-13-3-2-8-17-13/h2-10H,11H2,1H3/b10-9-
InChIKeyIYMZDKWQQDGHRY-KTKRTIGZSA-N
XLogP3.77
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[(Z)-2-octylsulfanylethenyl]sulfonylbenzene
CID 11393248
N-[4-(furan-2-ylmethylsulfanyl)phenyl]-4-methylbenzenesulfonamide
CID 169371575
1-methyl-4-[(1E,3E)-4-(4-methylphenyl)sulfonylbuta-1,3-dienyl]sulfonylbenzene
CID 10570649
2-[[(E)-hex-1-enyl]sulfanylmethyl]furan
CID 15212982
2-[4-ethyl-6-(4-methylphenyl)sulfonylhexa-4,5-dienyl]furan
CID 14764856
2-(furan-2-ylmethyl)butyl 4-methylbenzenesulfonate
CID 21301478
1-[(E)-2-fluoroethenyl]sulfonyl-4-methylbenzene
CID 13418310
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide
CID 110345911
2-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]sulfanylmethyl]furan
CID 99829004
1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
CID 83172579
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 126414861
(E)-3-(furan-2-ylmethylsulfanyl)-N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 110001072

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-2-(4-methylphenyl)sulfonylethenyl]sulfanylmethyl]furan?
The IUPAC name of 2-[[(Z)-2-(4-methylphenyl)sulfonylethenyl]sulfanylmethyl]furan (CID 10851342) is 2-[[(Z)-2-(4-methylphenyl)sulfonylethenyl]sulfanylmethyl]furan.
What is the SMILES notation for 2-[[(Z)-2-(4-methylphenyl)sulfonylethenyl]sulfanylmethyl]furan?
The canonical SMILES for 2-[[(Z)-2-(4-methylphenyl)sulfonylethenyl]sulfanylmethyl]furan is Cc1ccc(S(=O)(=O)/C=C\SCc2ccco2)cc1.
What is the InChIKey of 2-[[(Z)-2-(4-methylphenyl)sulfonylethenyl]sulfanylmethyl]furan?
The InChIKey is IYMZDKWQQDGHRY-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H14O3S2/c1-12-4-6-14(7-5-12)19(15,16)10-9-18-11-13-3-2-8-17-13/h2-10H,11H2,1H3/b10-9-.
What are the key properties of 2-[[(Z)-2-(4-methylphenyl)sulfonylethenyl]sulfanylmethyl]furan?
2-[[(Z)-2-(4-methylphenyl)sulfonylethenyl]sulfanylmethyl]furan has a molecular weight of 294.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-2-(4-methylphenyl)sulfonylethenyl]sulfanylmethyl]furan is sourced from PubChem (CID 10851342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).