[2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-thiomorpholin-4-ylmethanone

C24H17Cl2F2NO3S — CID 22475118

IUPAC[2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1cc2c(cc1F)OC(c1ccc(F)cc1)(c1ccc(Cl)cc1Cl)O2)N1CCSCC1
InChIInChI=1S/C24H17Cl2F2NO3S/c25-15-3-6-18(19(26)11-15)24(14-1-4-16(27)5-2-14)31-21-12-17(20(28)13-22(21)32-24)23(30)29-7-9-33-10-8-29/h1-6,11-13H,7-10H2
InChIKeyXYDVBMQRONWAHV-UHFFFAOYSA-N
MW508.37 g/mol
LogP6.13
Rot. Bonds3

About [2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-thiomorpholin-4-ylmethanone

[2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-thiomorpholin-4-ylmethanone (PubChem CID 22475118) has the molecular formula C24H17Cl2F2NO3S and a molecular weight of 508.37 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-thiomorpholin-4-ylmethanone
PubChem CID22475118
Molecular FormulaC24H17Cl2F2NO3S
Molecular Weight508.37 g/mol
Exact Mass507.03
IUPAC Name[2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1cc2c(cc1F)OC(c1ccc(F)cc1)(c1ccc(Cl)cc1Cl)O2)N1CCSCC1
InChIInChI=1S/C24H17Cl2F2NO3S/c25-15-3-6-18(19(26)11-15)24(14-1-4-16(27)5-2-14)31-21-12-17(20(28)13-22(21)32-24)23(30)29-7-9-33-10-8-29/h1-6,11-13H,7-10H2
InChIKeyXYDVBMQRONWAHV-UHFFFAOYSA-N
XLogP6.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.37
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-thiomorpholin-4-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-6-fluoro-1,3-benzodioxol-5-yl]-pyrrolidin-1-ylmethanone
CID 22475100
N-[1-[2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxole-5-carbonyl]pyrrolidin-3-yl]acetamide
CID 22475053
[6-fluoro-2-(4-fluorophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone
CID 10002398
[2-(2-chlorophenyl)-6-fluoro-2-(4-methoxyphenyl)-1,3-benzodioxol-5-yl]-piperidin-1-ylmethanone
CID 10412309
[2,2-bis(2,5-difluorophenyl)-6-fluoro-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone
CID 22475027
morpholin-4-yl-(6,6',13'-trifluorospiro[1,3-benzodioxole-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-5-yl)methanone
CID 11363335
[6-fluoro-2,2-bis(3-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone
CID 22475107
(4-chloro-2-iodophenyl)-thiomorpholin-4-ylmethanone
CID 172647456
(3-chloro-2,4-difluorophenyl)-thiomorpholin-4-ylmethanone
CID 164891876
[5-chloro-2-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone
CID 146035488
(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
CID 16769233
(2-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 2804981

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-thiomorpholin-4-ylmethanone (CID 22475118) is [2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-thiomorpholin-4-ylmethanone is O=C(c1cc2c(cc1F)OC(c1ccc(F)cc1)(c1ccc(Cl)cc1Cl)O2)N1CCSCC1.
What is the InChIKey of [2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is XYDVBMQRONWAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2F2NO3S/c25-15-3-6-18(19(26)11-15)24(14-1-4-16(27)5-2-14)31-21-12-17(20(28)13-22(21)32-24)23(30)29-7-9-33-10-8-29/h1-6,11-13H,7-10H2.
What are the key properties of [2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-thiomorpholin-4-ylmethanone?
[2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 508.37 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 22475118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).