(3Z)-3-[(4-methylphenyl)sulfonylmethylidene]-1H-2-benzofuran

C16H14O3S — CID 53384059

IUPAC(3Z)-3-[(4-methylphenyl)sulfonylmethylidene]-1H-2-benzofuran
SMILESCc1ccc(S(=O)(=O)/C=C2\OCc3ccccc32)cc1
InChIInChI=1S/C16H14O3S/c1-12-6-8-14(9-7-12)20(17,18)11-16-15-5-3-2-4-13(15)10-19-16/h2-9,11H,10H2,1H3/b16-11-
InChIKeyURLPETMVXZNBCB-WJDWOHSUSA-N
MW286.35 g/mol
LogP3.30
Rot. Bonds2

About (3Z)-3-[(4-methylphenyl)sulfonylmethylidene]-1H-2-benzofuran

(3Z)-3-[(4-methylphenyl)sulfonylmethylidene]-1H-2-benzofuran (PubChem CID 53384059) has the molecular formula C16H14O3S and a molecular weight of 286.35 g/mol. Its IUPAC name is (3Z)-3-[(4-methylphenyl)sulfonylmethylidene]-1H-2-benzofuran.

Molecular Properties

Compound Name(3Z)-3-[(4-methylphenyl)sulfonylmethylidene]-1H-2-benzofuran
PubChem CID53384059
Molecular FormulaC16H14O3S
Molecular Weight286.35 g/mol
Exact Mass286.07
IUPAC Name(3Z)-3-[(4-methylphenyl)sulfonylmethylidene]-1H-2-benzofuran
SMILESCc1ccc(S(=O)(=O)/C=C2\OCc3ccccc32)cc1
InChIInChI=1S/C16H14O3S/c1-12-6-8-14(9-7-12)20(17,18)11-16-15-5-3-2-4-13(15)10-19-16/h2-9,11H,10H2,1H3/b16-11-
InChIKeyURLPETMVXZNBCB-WJDWOHSUSA-N
XLogP3.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-methylphenyl)sulfonylmethylidene]-1H-2-benzofuran?
The IUPAC name of (3Z)-3-[(4-methylphenyl)sulfonylmethylidene]-1H-2-benzofuran (CID 53384059) is (3Z)-3-[(4-methylphenyl)sulfonylmethylidene]-1H-2-benzofuran.
What is the SMILES notation for (3Z)-3-[(4-methylphenyl)sulfonylmethylidene]-1H-2-benzofuran?
The canonical SMILES for (3Z)-3-[(4-methylphenyl)sulfonylmethylidene]-1H-2-benzofuran is Cc1ccc(S(=O)(=O)/C=C2\OCc3ccccc32)cc1.
What is the InChIKey of (3Z)-3-[(4-methylphenyl)sulfonylmethylidene]-1H-2-benzofuran?
The InChIKey is URLPETMVXZNBCB-WJDWOHSUSA-N. The full InChI is InChI=1S/C16H14O3S/c1-12-6-8-14(9-7-12)20(17,18)11-16-15-5-3-2-4-13(15)10-19-16/h2-9,11H,10H2,1H3/b16-11-.
What are the key properties of (3Z)-3-[(4-methylphenyl)sulfonylmethylidene]-1H-2-benzofuran?
(3Z)-3-[(4-methylphenyl)sulfonylmethylidene]-1H-2-benzofuran has a molecular weight of 286.35 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-methylphenyl)sulfonylmethylidene]-1H-2-benzofuran is sourced from PubChem (CID 53384059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).