3-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]furan

C18H15ClO3S — CID 69168077

IUPAC3-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]furan
SMILESCS(=O)(=O)c1ccc(C(=C2C=COC2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H15ClO3S/c1-23(20,21)17-7-5-13(6-8-17)18(15-9-10-22-12-15)14-3-2-4-16(19)11-14/h2-11H,12H2,1H3
InChIKeyGHEQNYAYAJNURM-UHFFFAOYSA-N
MW346.84 g/mol
LogP4.09
Rot. Bonds3

About 3-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]furan

3-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]furan (PubChem CID 69168077) has the molecular formula C18H15ClO3S and a molecular weight of 346.84 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]furan.

Molecular Properties

Compound Name3-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]furan
PubChem CID69168077
Molecular FormulaC18H15ClO3S
Molecular Weight346.84 g/mol
Exact Mass346.04
IUPAC Name3-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]furan
SMILESCS(=O)(=O)c1ccc(C(=C2C=COC2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H15ClO3S/c1-23(20,21)17-7-5-13(6-8-17)18(15-9-10-22-12-15)14-3-2-4-16(19)11-14/h2-11H,12H2,1H3
InChIKeyGHEQNYAYAJNURM-UHFFFAOYSA-N
XLogP4.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3E)-3-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolan-2-one
CID 15383981
1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)ethane-1,2-dione
CID 18463772
3-chlorobenzoyl chloride;4-methylsulfonylbenzoyl chloride
CID 160723063
1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene
CID 23451389
N-[(3-chlorophenyl)methyl]-4-methylsulfonyl-N-propan-2-ylbenzamide
CID 86927045
2-(3-chlorophenyl)-2-oxoethanesulfonic acid
CID 115040558
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylbenzamide
CID 16854423
2-(3-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone
CID 114962432
1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene
CID 51191187
(3-methylphenyl)-(4-methylsulfonylphenyl)methanone
CID 21262973
(3-chlorophenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 25320248
3-chloro-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 5211673

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]furan?
The IUPAC name of 3-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]furan (CID 69168077) is 3-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]furan.
What is the SMILES notation for 3-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]furan?
The canonical SMILES for 3-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]furan is CS(=O)(=O)c1ccc(C(=C2C=COC2)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]furan?
The InChIKey is GHEQNYAYAJNURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO3S/c1-23(20,21)17-7-5-13(6-8-17)18(15-9-10-22-12-15)14-3-2-4-16(19)11-14/h2-11H,12H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]furan?
3-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]furan has a molecular weight of 346.84 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]furan is sourced from PubChem (CID 69168077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).