1-[(E)-1-chloro-2-(4-methoxyphenyl)sulfonylethenyl]sulfanyl-4-methoxybenzene

C16H15ClO4S2 — CID 134920939

IUPAC1-[(E)-1-chloro-2-(4-methoxyphenyl)sulfonylethenyl]sulfanyl-4-methoxybenzene
SMILESCOc1ccc(S/C(Cl)=C\S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H15ClO4S2/c1-20-12-3-7-14(8-4-12)22-16(17)11-23(18,19)15-9-5-13(21-2)6-10-15/h3-11H,1-2H3/b16-11-
InChIKeyRUOUBGIKLGDFDP-WJDWOHSUSA-N
MW370.88 g/mol
LogP4.31
Rot. Bonds6

About 1-[(E)-1-chloro-2-(4-methoxyphenyl)sulfonylethenyl]sulfanyl-4-methoxybenzene

1-[(E)-1-chloro-2-(4-methoxyphenyl)sulfonylethenyl]sulfanyl-4-methoxybenzene (PubChem CID 134920939) has the molecular formula C16H15ClO4S2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-[(E)-1-chloro-2-(4-methoxyphenyl)sulfonylethenyl]sulfanyl-4-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-1-chloro-2-(4-methoxyphenyl)sulfonylethenyl]sulfanyl-4-methoxybenzene
PubChem CID134920939
Molecular FormulaC16H15ClO4S2
Molecular Weight370.88 g/mol
Exact Mass370.01
IUPAC Name1-[(E)-1-chloro-2-(4-methoxyphenyl)sulfonylethenyl]sulfanyl-4-methoxybenzene
SMILESCOc1ccc(S/C(Cl)=C\S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H15ClO4S2/c1-20-12-3-7-14(8-4-12)22-16(17)11-23(18,19)15-9-5-13(21-2)6-10-15/h3-11H,1-2H3/b16-11-
InChIKeyRUOUBGIKLGDFDP-WJDWOHSUSA-N
XLogP4.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-chloro-2-(4-methoxyphenyl)sulfonylethenyl]sulfanyl-4-methoxybenzene?
The IUPAC name of 1-[(E)-1-chloro-2-(4-methoxyphenyl)sulfonylethenyl]sulfanyl-4-methoxybenzene (CID 134920939) is 1-[(E)-1-chloro-2-(4-methoxyphenyl)sulfonylethenyl]sulfanyl-4-methoxybenzene.
What is the SMILES notation for 1-[(E)-1-chloro-2-(4-methoxyphenyl)sulfonylethenyl]sulfanyl-4-methoxybenzene?
The canonical SMILES for 1-[(E)-1-chloro-2-(4-methoxyphenyl)sulfonylethenyl]sulfanyl-4-methoxybenzene is COc1ccc(S/C(Cl)=C\S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[(E)-1-chloro-2-(4-methoxyphenyl)sulfonylethenyl]sulfanyl-4-methoxybenzene?
The InChIKey is RUOUBGIKLGDFDP-WJDWOHSUSA-N. The full InChI is InChI=1S/C16H15ClO4S2/c1-20-12-3-7-14(8-4-12)22-16(17)11-23(18,19)15-9-5-13(21-2)6-10-15/h3-11H,1-2H3/b16-11-.
What are the key properties of 1-[(E)-1-chloro-2-(4-methoxyphenyl)sulfonylethenyl]sulfanyl-4-methoxybenzene?
1-[(E)-1-chloro-2-(4-methoxyphenyl)sulfonylethenyl]sulfanyl-4-methoxybenzene has a molecular weight of 370.88 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-chloro-2-(4-methoxyphenyl)sulfonylethenyl]sulfanyl-4-methoxybenzene is sourced from PubChem (CID 134920939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).