7-chloro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-chloro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;7-fluoro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-fluoro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione

C81H50Cl2F2O24S6 — CID 158750565

IUPAC7-chloro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-chloro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;7-fluoro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-fluoro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione
SMILESC=S(C)c1cc2c(o1)C(=O)c1cc(Cl)ccc1C2=O.C=S(C)c1cc2c(o1)C(=O)c1cc(F)ccc1C2=O.C=S(C)c1cc2c(o1)C(=O)c1ccccc1C2=O.CS(=O)(=O)c1cc2c(o1)C(=O)c1cc(Cl)ccc1C2=O.CS(=O)(=O)c1cc2c(o1)C(=O)c1cc(F)ccc1C2=O.CS(=O)(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9ClO3S.C14H9FO3S.C14H10O3S.C13H7ClO5S.C13H7FO5S.C13H8O5S/c2*1-19(2)11-6-10-12(16)8-4-3-7(15)5-9(8)13(17)14(10)18-11;1-18(2)11-7-10-12(15)8-5-3-4-6-9(8)13(16)14(10)17-11;2*1-20(17,18)10-5-9-11(15)7-3-2-6(14)4-8(7)12(16)13(9)19-10;1-19(16,17)10-6-9-11(14)7-4-2-3-5-8(7)12(15)13(9)18-10/h2*3-6H,1H2,2H3;3-7H,1H2,2H3;2*2-5H,1H3;2-6H,1H3
InChIKeyINKQUZAEXNLZHB-UHFFFAOYSA-N
MW1708.57 g/mol
LogP14.19
Rot. Bonds6

About 7-chloro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-chloro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;7-fluoro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-fluoro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione

7-chloro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-chloro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;7-fluoro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-fluoro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione (PubChem CID 158750565) has the molecular formula C81H50Cl2F2O24S6 and a molecular weight of 1708.57 g/mol. Its IUPAC name is 7-chloro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-chloro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;7-fluoro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-fluoro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione.

Molecular Properties

Compound Name7-chloro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-chloro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;7-fluoro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-fluoro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione
PubChem CID158750565
Molecular FormulaC81H50Cl2F2O24S6
Molecular Weight1708.57 g/mol
Exact Mass1706.04
IUPAC Name7-chloro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-chloro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;7-fluoro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-fluoro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione
SMILESC=S(C)c1cc2c(o1)C(=O)c1cc(Cl)ccc1C2=O.C=S(C)c1cc2c(o1)C(=O)c1cc(F)ccc1C2=O.C=S(C)c1cc2c(o1)C(=O)c1ccccc1C2=O.CS(=O)(=O)c1cc2c(o1)C(=O)c1cc(Cl)ccc1C2=O.CS(=O)(=O)c1cc2c(o1)C(=O)c1cc(F)ccc1C2=O.CS(=O)(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9ClO3S.C14H9FO3S.C14H10O3S.C13H7ClO5S.C13H7FO5S.C13H8O5S/c2*1-19(2)11-6-10-12(16)8-4-3-7(15)5-9(8)13(17)14(10)18-11;1-18(2)11-7-10-12(15)8-5-3-4-6-9(8)13(16)14(10)17-11;2*1-20(17,18)10-5-9-11(15)7-3-2-6(14)4-8(7)12(16)13(9)19-10;1-19(16,17)10-6-9-11(14)7-4-2-3-5-8(7)12(15)13(9)18-10/h2*3-6H,1H2,2H3;3-7H,1H2,2H3;2*2-5H,1H3;2-6H,1H3
InChIKeyINKQUZAEXNLZHB-UHFFFAOYSA-N
XLogP14.19
TPSA386.10 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds6
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001708.57
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 7-chloro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-chloro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;7-fluoro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-fluoro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione with MolForge

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Related Compounds

2-(4-fluorophenyl)sulfinylbenzo[f][1]benzofuran-4,9-dione
CID 56847540
2-(trifluoromethylsulfonyl)benzo[f][1]benzofuran-4,9-dione
CID 56847535
3-chlorophenanthrene-9,10-dione
CID 67151037
(4E)-8-chloro-4-(dimethylaminomethylidene)-1-(2-fluorophenyl)-2-oxido-3H-2-benzazepin-2-ium-5-one
CID 13094327
5-chloro-2-fluorofluoren-9-one
CID 82579497
7-chloro-9,10-dioxoanthracene-2-sulfonic acid
CID 23463689
(2S)-2-(3-chloro-4-fluoroanilino)-N-(9,10-dioxoanthracen-2-yl)propanamide
CID 26057005
2-aminobenzo[f][1]benzofuran-4,9-dione
CID 123549190
5-chloro-2-(2,4-difluorophenyl)benzaldehyde
CID 66158909
3,6-dichlorophenanthrene-9,10-dione
CID 15371518
anthracene-9,10-dione;methanesulfonyl chloride
CID 174964861
2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene
CID 129059245

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-chloro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;7-fluoro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-fluoro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione?
The IUPAC name of 7-chloro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-chloro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;7-fluoro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-fluoro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione (CID 158750565) is 7-chloro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-chloro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;7-fluoro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-fluoro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione.
What is the SMILES notation for 7-chloro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-chloro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;7-fluoro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-fluoro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione?
The canonical SMILES for 7-chloro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-chloro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;7-fluoro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-fluoro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione is C=S(C)c1cc2c(o1)C(=O)c1cc(Cl)ccc1C2=O.C=S(C)c1cc2c(o1)C(=O)c1cc(F)ccc1C2=O.C=S(C)c1cc2c(o1)C(=O)c1ccccc1C2=O.CS(=O)(=O)c1cc2c(o1)C(=O)c1cc(Cl)ccc1C2=O.CS(=O)(=O)c1cc2c(o1)C(=O)c1cc(F)ccc1C2=O.CS(=O)(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 7-chloro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-chloro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;7-fluoro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-fluoro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione?
The InChIKey is INKQUZAEXNLZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO3S.C14H9FO3S.C14H10O3S.C13H7ClO5S.C13H7FO5S.C13H8O5S/c2*1-19(2)11-6-10-12(16)8-4-3-7(15)5-9(8)13(17)14(10)18-11;1-18(2)11-7-10-12(15)8-5-3-4-6-9(8)13(16)14(10)17-11;2*1-20(17,18)10-5-9-11(15)7-3-2-6(14)4-8(7)12(16)13(9)19-10;1-19(16,17)10-6-9-11(14)7-4-2-3-5-8(7)12(15)13(9)18-10/h2*3-6H,1H2,2H3;3-7H,1H2,2H3;2*2-5H,1H3;2-6H,1H3.
What are the key properties of 7-chloro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-chloro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;7-fluoro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-fluoro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione?
7-chloro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-chloro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;7-fluoro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-fluoro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione has a molecular weight of 1708.57 g/mol, XLogP of 14.19, 6 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-chloro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;7-fluoro-2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;7-fluoro-2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione;2-[methyl(methylidene)-λ4-sulfanyl]benzo[f][1]benzofuran-4,9-dione;2-methylsulfonylbenzo[f][1]benzofuran-4,9-dione is sourced from PubChem (CID 158750565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).