2-[1-(benzenesulfonyl)ethyl]anthracene-9,10-dione;2,4-bis[1-(benzenesulfonyl)ethyl]thioxanthen-9-one;2,4-bis[1-(4-methylphenyl)sulfonylethyl]thioxanthen-9-one;2,4-bis(1-methylsulfonylethyl)thioxanthen-9-one;2,4-bis[1-(trifluoromethylsulfonyl)ethyl]thioxanthen-9-one;2-ethylhexyl 3-[1-[4-[1-[3-(2-ethylhexoxy)-3-oxopropyl]sulfonylethyl]-9-oxothioxanthen-2-yl]ethylsulfonyl]propanoate;2-[1-(4-methylphenyl)sulfonylethyl]anthracene-9,10-dione

C182H176F6O37S17 — CID 158142320

IUPAC2-[1-(benzenesulfonyl)ethyl]anthracene-9,10-dione;2,4-bis[1-(benzenesulfonyl)ethyl]thioxanthen-9-one;2,4-bis[1-(4-methylphenyl)sulfonylethyl]thioxanthen-9-one;2,4-bis(1-methylsulfonylethyl)thioxanthen-9-one;2,4-bis[1-(trifluoromethylsulfonyl)ethyl]thioxanthen-9-one;2-ethylhexyl 3-[1-[4-[1-[3-(2-ethylhexoxy)-3-oxopropyl]sulfonylethyl]-9-oxothioxanthen-2-yl]ethylsulfonyl]propanoate;2-[1-(4-methylphenyl)sulfonylethyl]anthracene-9,10-dione
SMILESCC(c1cc(C(C)S(=O)(=O)C(F)(F)F)c2sc3ccccc3c(=O)c2c1)S(=O)(=O)C(F)(F)F.CC(c1cc(C(C)S(=O)(=O)c2ccccc2)c2sc3ccccc3c(=O)c2c1)S(=O)(=O)c1ccccc1.CC(c1cc(C(C)S(C)(=O)=O)c2sc3ccccc3c(=O)c2c1)S(C)(=O)=O.CC(c1ccc2c(c1)C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccccc1.CCCCC(CC)COC(=O)CCS(=O)(=O)C(C)c1cc(C(C)S(=O)(=O)CCC(=O)OCC(CC)CCCC)c2sc3ccccc3c(=O)c2c1.Cc1ccc(S(=O)(=O)C(C)c2cc(C(C)S(=O)(=O)c3ccc(C)cc3)c3sc4ccccc4c(=O)c3c2)cc1.Cc1ccc(S(=O)(=O)C(C)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C39H56O9S3.C31H28O5S3.C29H24O5S3.C23H18O4S.C22H16O4S.C19H14F6O5S3.C19H20O5S3/c1-7-11-15-29(9-3)25-47-36(40)19-21-50(43,44)27(5)31-23-33(39-34(24-31)38(42)32-17-13-14-18-35(32)49-39)28(6)51(45,46)22-20-37(41)48-26-30(10-4)16-12-8-2;1-19-9-13-24(14-10-19)38(33,34)21(3)23-17-27(22(4)39(35,36)25-15-11-20(2)12-16-25)31-28(18-23)30(32)26-7-5-6-8-29(26)37-31;1-19(36(31,32)22-11-5-3-6-12-22)21-17-25(20(2)37(33,34)23-13-7-4-8-14-23)29-26(18-21)28(30)24-15-9-10-16-27(24)35-29;1-14-7-10-17(11-8-14)28(26,27)15(2)16-9-12-20-21(13-16)23(25)19-6-4-3-5-18(19)22(20)24;1-14(27(25,26)16-7-3-2-4-8-16)15-11-12-19-20(13-15)22(24)18-10-6-5-9-17(18)21(19)23;1-9(32(27,28)18(20,21)22)11-7-13(10(2)33(29,30)19(23,24)25)17-14(8-11)16(26)12-5-3-4-6-15(12)31-17;1-11(26(3,21)22)13-9-15(12(2)27(4,23)24)19-16(10-13)18(20)14-7-5-6-8-17(14)25-19/h13-14,17-18,23-24,27-30H,7-12,15-16,19-22,25-26H2,1-6H3;5-18,21-22H,1-4H3;3-20H,1-2H3;3-13,15H,1-2H3;2-14H,1H3;3-10H,1-2H3;5-12H,1-4H3
InChIKeyFUCBVDJVNIQFHM-UHFFFAOYSA-N
MW3614.50 g/mol
LogP39.59
Rot. Bonds48

About 2-[1-(benzenesulfonyl)ethyl]anthracene-9,10-dione;2,4-bis[1-(benzenesulfonyl)ethyl]thioxanthen-9-one;2,4-bis[1-(4-methylphenyl)sulfonylethyl]thioxanthen-9-one;2,4-bis(1-methylsulfonylethyl)thioxanthen-9-one;2,4-bis[1-(trifluoromethylsulfonyl)ethyl]thioxanthen-9-one;2-ethylhexyl 3-[1-[4-[1-[3-(2-ethylhexoxy)-3-oxopropyl]sulfonylethyl]-9-oxothioxanthen-2-yl]ethylsulfonyl]propanoate;2-[1-(4-methylphenyl)sulfonylethyl]anthracene-9,10-dione

2-[1-(benzenesulfonyl)ethyl]anthracene-9,10-dione;2,4-bis[1-(benzenesulfonyl)ethyl]thioxanthen-9-one;2,4-bis[1-(4-methylphenyl)sulfonylethyl]thioxanthen-9-one;2,4-bis(1-methylsulfonylethyl)thioxanthen-9-one;2,4-bis[1-(trifluoromethylsulfonyl)ethyl]thioxanthen-9-one;2-ethylhexyl 3-[1-[4-[1-[3-(2-ethylhexoxy)-3-oxopropyl]sulfonylethyl]-9-oxothioxanthen-2-yl]ethylsulfonyl]propanoate;2-[1-(4-methylphenyl)sulfonylethyl]anthracene-9,10-dione (PubChem CID 158142320) has the molecular formula C182H176F6O37S17 and a molecular weight of 3614.50 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)ethyl]anthracene-9,10-dione;2,4-bis[1-(benzenesulfonyl)ethyl]thioxanthen-9-one;2,4-bis[1-(4-methylphenyl)sulfonylethyl]thioxanthen-9-one;2,4-bis(1-methylsulfonylethyl)thioxanthen-9-one;2,4-bis[1-(trifluoromethylsulfonyl)ethyl]thioxanthen-9-one;2-ethylhexyl 3-[1-[4-[1-[3-(2-ethylhexoxy)-3-oxopropyl]sulfonylethyl]-9-oxothioxanthen-2-yl]ethylsulfonyl]propanoate;2-[1-(4-methylphenyl)sulfonylethyl]anthracene-9,10-dione.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)ethyl]anthracene-9,10-dione;2,4-bis[1-(benzenesulfonyl)ethyl]thioxanthen-9-one;2,4-bis[1-(4-methylphenyl)sulfonylethyl]thioxanthen-9-one;2,4-bis(1-methylsulfonylethyl)thioxanthen-9-one;2,4-bis[1-(trifluoromethylsulfonyl)ethyl]thioxanthen-9-one;2-ethylhexyl 3-[1-[4-[1-[3-(2-ethylhexoxy)-3-oxopropyl]sulfonylethyl]-9-oxothioxanthen-2-yl]ethylsulfonyl]propanoate;2-[1-(4-methylphenyl)sulfonylethyl]anthracene-9,10-dione
PubChem CID158142320
Molecular FormulaC182H176F6O37S17
Molecular Weight3614.50 g/mol
Exact Mass3610.70
IUPAC Name2-[1-(benzenesulfonyl)ethyl]anthracene-9,10-dione;2,4-bis[1-(benzenesulfonyl)ethyl]thioxanthen-9-one;2,4-bis[1-(4-methylphenyl)sulfonylethyl]thioxanthen-9-one;2,4-bis(1-methylsulfonylethyl)thioxanthen-9-one;2,4-bis[1-(trifluoromethylsulfonyl)ethyl]thioxanthen-9-one;2-ethylhexyl 3-[1-[4-[1-[3-(2-ethylhexoxy)-3-oxopropyl]sulfonylethyl]-9-oxothioxanthen-2-yl]ethylsulfonyl]propanoate;2-[1-(4-methylphenyl)sulfonylethyl]anthracene-9,10-dione
SMILESCC(c1cc(C(C)S(=O)(=O)C(F)(F)F)c2sc3ccccc3c(=O)c2c1)S(=O)(=O)C(F)(F)F.CC(c1cc(C(C)S(=O)(=O)c2ccccc2)c2sc3ccccc3c(=O)c2c1)S(=O)(=O)c1ccccc1.CC(c1cc(C(C)S(C)(=O)=O)c2sc3ccccc3c(=O)c2c1)S(C)(=O)=O.CC(c1ccc2c(c1)C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccccc1.CCCCC(CC)COC(=O)CCS(=O)(=O)C(C)c1cc(C(C)S(=O)(=O)CCC(=O)OCC(CC)CCCC)c2sc3ccccc3c(=O)c2c1.Cc1ccc(S(=O)(=O)C(C)c2cc(C(C)S(=O)(=O)c3ccc(C)cc3)c3sc4ccccc4c(=O)c3c2)cc1.Cc1ccc(S(=O)(=O)C(C)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C39H56O9S3.C31H28O5S3.C29H24O5S3.C23H18O4S.C22H16O4S.C19H14F6O5S3.C19H20O5S3/c1-7-11-15-29(9-3)25-47-36(40)19-21-50(43,44)27(5)31-23-33(39-34(24-31)38(42)32-17-13-14-18-35(32)49-39)28(6)51(45,46)22-20-37(41)48-26-30(10-4)16-12-8-2;1-19-9-13-24(14-10-19)38(33,34)21(3)23-17-27(22(4)39(35,36)25-15-11-20(2)12-16-25)31-28(18-23)30(32)26-7-5-6-8-29(26)37-31;1-19(36(31,32)22-11-5-3-6-12-22)21-17-25(20(2)37(33,34)23-13-7-4-8-14-23)29-26(18-21)28(30)24-15-9-10-16-27(24)35-29;1-14-7-10-17(11-8-14)28(26,27)15(2)16-9-12-20-21(13-16)23(25)19-6-4-3-5-18(19)22(20)24;1-14(27(25,26)16-7-3-2-4-8-16)15-11-12-19-20(13-15)22(24)18-10-6-5-9-17(18)21(19)23;1-9(32(27,28)18(20,21)22)11-7-13(10(2)33(29,30)19(23,24)25)17-14(8-11)16(26)12-5-3-4-6-15(12)31-17;1-11(26(3,21)22)13-9-15(12(2)27(4,23)24)19-16(10-13)18(20)14-7-5-6-8-17(14)25-19/h13-14,17-18,23-24,27-30H,7-12,15-16,19-22,25-26H2,1-6H3;5-18,21-22H,1-4H3;3-20H,1-2H3;3-13,15H,1-2H3;2-14H,1H3;3-10H,1-2H3;5-12H,1-4H3
InChIKeyFUCBVDJVNIQFHM-UHFFFAOYSA-N
XLogP39.59
TPSA615.91 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds48
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003614.50
LogP ≤ 539.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[1-(benzenesulfonyl)ethyl]anthracene-9,10-dione;2,4-bis[1-(benzenesulfonyl)ethyl]thioxanthen-9-one;2,4-bis[1-(4-methylphenyl)sulfonylethyl]thioxanthen-9-one;2,4-bis(1-methylsulfonylethyl)thioxanthen-9-one;2,4-bis[1-(trifluoromethylsulfonyl)ethyl]thioxanthen-9-one;2-ethylhexyl 3-[1-[4-[1-[3-(2-ethylhexoxy)-3-oxopropyl]sulfonylethyl]-9-oxothioxanthen-2-yl]ethylsulfonyl]propanoate;2-[1-(4-methylphenyl)sulfonylethyl]anthracene-9,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)ethyl]anthracene-9,10-dione;2,4-bis[1-(benzenesulfonyl)ethyl]thioxanthen-9-one;2,4-bis[1-(4-methylphenyl)sulfonylethyl]thioxanthen-9-one;2,4-bis(1-methylsulfonylethyl)thioxanthen-9-one;2,4-bis[1-(trifluoromethylsulfonyl)ethyl]thioxanthen-9-one;2-ethylhexyl 3-[1-[4-[1-[3-(2-ethylhexoxy)-3-oxopropyl]sulfonylethyl]-9-oxothioxanthen-2-yl]ethylsulfonyl]propanoate;2-[1-(4-methylphenyl)sulfonylethyl]anthracene-9,10-dione?
The IUPAC name of 2-[1-(benzenesulfonyl)ethyl]anthracene-9,10-dione;2,4-bis[1-(benzenesulfonyl)ethyl]thioxanthen-9-one;2,4-bis[1-(4-methylphenyl)sulfonylethyl]thioxanthen-9-one;2,4-bis(1-methylsulfonylethyl)thioxanthen-9-one;2,4-bis[1-(trifluoromethylsulfonyl)ethyl]thioxanthen-9-one;2-ethylhexyl 3-[1-[4-[1-[3-(2-ethylhexoxy)-3-oxopropyl]sulfonylethyl]-9-oxothioxanthen-2-yl]ethylsulfonyl]propanoate;2-[1-(4-methylphenyl)sulfonylethyl]anthracene-9,10-dione (CID 158142320) is 2-[1-(benzenesulfonyl)ethyl]anthracene-9,10-dione;2,4-bis[1-(benzenesulfonyl)ethyl]thioxanthen-9-one;2,4-bis[1-(4-methylphenyl)sulfonylethyl]thioxanthen-9-one;2,4-bis(1-methylsulfonylethyl)thioxanthen-9-one;2,4-bis[1-(trifluoromethylsulfonyl)ethyl]thioxanthen-9-one;2-ethylhexyl 3-[1-[4-[1-[3-(2-ethylhexoxy)-3-oxopropyl]sulfonylethyl]-9-oxothioxanthen-2-yl]ethylsulfonyl]propanoate;2-[1-(4-methylphenyl)sulfonylethyl]anthracene-9,10-dione.
What is the SMILES notation for 2-[1-(benzenesulfonyl)ethyl]anthracene-9,10-dione;2,4-bis[1-(benzenesulfonyl)ethyl]thioxanthen-9-one;2,4-bis[1-(4-methylphenyl)sulfonylethyl]thioxanthen-9-one;2,4-bis(1-methylsulfonylethyl)thioxanthen-9-one;2,4-bis[1-(trifluoromethylsulfonyl)ethyl]thioxanthen-9-one;2-ethylhexyl 3-[1-[4-[1-[3-(2-ethylhexoxy)-3-oxopropyl]sulfonylethyl]-9-oxothioxanthen-2-yl]ethylsulfonyl]propanoate;2-[1-(4-methylphenyl)sulfonylethyl]anthracene-9,10-dione?
The canonical SMILES for 2-[1-(benzenesulfonyl)ethyl]anthracene-9,10-dione;2,4-bis[1-(benzenesulfonyl)ethyl]thioxanthen-9-one;2,4-bis[1-(4-methylphenyl)sulfonylethyl]thioxanthen-9-one;2,4-bis(1-methylsulfonylethyl)thioxanthen-9-one;2,4-bis[1-(trifluoromethylsulfonyl)ethyl]thioxanthen-9-one;2-ethylhexyl 3-[1-[4-[1-[3-(2-ethylhexoxy)-3-oxopropyl]sulfonylethyl]-9-oxothioxanthen-2-yl]ethylsulfonyl]propanoate;2-[1-(4-methylphenyl)sulfonylethyl]anthracene-9,10-dione is CC(c1cc(C(C)S(=O)(=O)C(F)(F)F)c2sc3ccccc3c(=O)c2c1)S(=O)(=O)C(F)(F)F.CC(c1cc(C(C)S(=O)(=O)c2ccccc2)c2sc3ccccc3c(=O)c2c1)S(=O)(=O)c1ccccc1.CC(c1cc(C(C)S(C)(=O)=O)c2sc3ccccc3c(=O)c2c1)S(C)(=O)=O.CC(c1ccc2c(c1)C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccccc1.CCCCC(CC)COC(=O)CCS(=O)(=O)C(C)c1cc(C(C)S(=O)(=O)CCC(=O)OCC(CC)CCCC)c2sc3ccccc3c(=O)c2c1.Cc1ccc(S(=O)(=O)C(C)c2cc(C(C)S(=O)(=O)c3ccc(C)cc3)c3sc4ccccc4c(=O)c3c2)cc1.Cc1ccc(S(=O)(=O)C(C)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1.
What is the InChIKey of 2-[1-(benzenesulfonyl)ethyl]anthracene-9,10-dione;2,4-bis[1-(benzenesulfonyl)ethyl]thioxanthen-9-one;2,4-bis[1-(4-methylphenyl)sulfonylethyl]thioxanthen-9-one;2,4-bis(1-methylsulfonylethyl)thioxanthen-9-one;2,4-bis[1-(trifluoromethylsulfonyl)ethyl]thioxanthen-9-one;2-ethylhexyl 3-[1-[4-[1-[3-(2-ethylhexoxy)-3-oxopropyl]sulfonylethyl]-9-oxothioxanthen-2-yl]ethylsulfonyl]propanoate;2-[1-(4-methylphenyl)sulfonylethyl]anthracene-9,10-dione?
The InChIKey is FUCBVDJVNIQFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H56O9S3.C31H28O5S3.C29H24O5S3.C23H18O4S.C22H16O4S.C19H14F6O5S3.C19H20O5S3/c1-7-11-15-29(9-3)25-47-36(40)19-21-50(43,44)27(5)31-23-33(39-34(24-31)38(42)32-17-13-14-18-35(32)49-39)28(6)51(45,46)22-20-37(41)48-26-30(10-4)16-12-8-2;1-19-9-13-24(14-10-19)38(33,34)21(3)23-17-27(22(4)39(35,36)25-15-11-20(2)12-16-25)31-28(18-23)30(32)26-7-5-6-8-29(26)37-31;1-19(36(31,32)22-11-5-3-6-12-22)21-17-25(20(2)37(33,34)23-13-7-4-8-14-23)29-26(18-21)28(30)24-15-9-10-16-27(24)35-29;1-14-7-10-17(11-8-14)28(26,27)15(2)16-9-12-20-21(13-16)23(25)19-6-4-3-5-18(19)22(20)24;1-14(27(25,26)16-7-3-2-4-8-16)15-11-12-19-20(13-15)22(24)18-10-6-5-9-17(18)21(19)23;1-9(32(27,28)18(20,21)22)11-7-13(10(2)33(29,30)19(23,24)25)17-14(8-11)16(26)12-5-3-4-6-15(12)31-17;1-11(26(3,21)22)13-9-15(12(2)27(4,23)24)19-16(10-13)18(20)14-7-5-6-8-17(14)25-19/h13-14,17-18,23-24,27-30H,7-12,15-16,19-22,25-26H2,1-6H3;5-18,21-22H,1-4H3;3-20H,1-2H3;3-13,15H,1-2H3;2-14H,1H3;3-10H,1-2H3;5-12H,1-4H3.
What are the key properties of 2-[1-(benzenesulfonyl)ethyl]anthracene-9,10-dione;2,4-bis[1-(benzenesulfonyl)ethyl]thioxanthen-9-one;2,4-bis[1-(4-methylphenyl)sulfonylethyl]thioxanthen-9-one;2,4-bis(1-methylsulfonylethyl)thioxanthen-9-one;2,4-bis[1-(trifluoromethylsulfonyl)ethyl]thioxanthen-9-one;2-ethylhexyl 3-[1-[4-[1-[3-(2-ethylhexoxy)-3-oxopropyl]sulfonylethyl]-9-oxothioxanthen-2-yl]ethylsulfonyl]propanoate;2-[1-(4-methylphenyl)sulfonylethyl]anthracene-9,10-dione?
2-[1-(benzenesulfonyl)ethyl]anthracene-9,10-dione;2,4-bis[1-(benzenesulfonyl)ethyl]thioxanthen-9-one;2,4-bis[1-(4-methylphenyl)sulfonylethyl]thioxanthen-9-one;2,4-bis(1-methylsulfonylethyl)thioxanthen-9-one;2,4-bis[1-(trifluoromethylsulfonyl)ethyl]thioxanthen-9-one;2-ethylhexyl 3-[1-[4-[1-[3-(2-ethylhexoxy)-3-oxopropyl]sulfonylethyl]-9-oxothioxanthen-2-yl]ethylsulfonyl]propanoate;2-[1-(4-methylphenyl)sulfonylethyl]anthracene-9,10-dione has a molecular weight of 3614.50 g/mol, XLogP of 39.59, 48 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)ethyl]anthracene-9,10-dione;2,4-bis[1-(benzenesulfonyl)ethyl]thioxanthen-9-one;2,4-bis[1-(4-methylphenyl)sulfonylethyl]thioxanthen-9-one;2,4-bis(1-methylsulfonylethyl)thioxanthen-9-one;2,4-bis[1-(trifluoromethylsulfonyl)ethyl]thioxanthen-9-one;2-ethylhexyl 3-[1-[4-[1-[3-(2-ethylhexoxy)-3-oxopropyl]sulfonylethyl]-9-oxothioxanthen-2-yl]ethylsulfonyl]propanoate;2-[1-(4-methylphenyl)sulfonylethyl]anthracene-9,10-dione is sourced from PubChem (CID 158142320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).