5-[(S)-(4-chlorophenyl)methylsulfinyl]-4-(2,4-dichlorophenyl)thiadiazole

C15H9Cl3N2OS2 — CID 40554327

IUPAC5-[(S)-(4-chlorophenyl)methylsulfinyl]-4-(2,4-dichlorophenyl)thiadiazole
SMILESO=[S@@](Cc1ccc(Cl)cc1)c1snnc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl3N2OS2/c16-10-3-1-9(2-4-10)8-23(21)15-14(19-20-22-15)12-6-5-11(17)7-13(12)18/h1-7H,8H2/t23-/m0/s1
InChIKeyLWCULHLYRLELFK-QHCPKHFHSA-N
MW403.74 g/mol
LogP5.47
Rot. Bonds4

About 5-[(S)-(4-chlorophenyl)methylsulfinyl]-4-(2,4-dichlorophenyl)thiadiazole

5-[(S)-(4-chlorophenyl)methylsulfinyl]-4-(2,4-dichlorophenyl)thiadiazole (PubChem CID 40554327) has the molecular formula C15H9Cl3N2OS2 and a molecular weight of 403.74 g/mol. Its IUPAC name is 5-[(S)-(4-chlorophenyl)methylsulfinyl]-4-(2,4-dichlorophenyl)thiadiazole.

Molecular Properties

Compound Name5-[(S)-(4-chlorophenyl)methylsulfinyl]-4-(2,4-dichlorophenyl)thiadiazole
PubChem CID40554327
Molecular FormulaC15H9Cl3N2OS2
Molecular Weight403.74 g/mol
Exact Mass401.92
IUPAC Name5-[(S)-(4-chlorophenyl)methylsulfinyl]-4-(2,4-dichlorophenyl)thiadiazole
SMILESO=[S@@](Cc1ccc(Cl)cc1)c1snnc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl3N2OS2/c16-10-3-1-9(2-4-10)8-23(21)15-14(19-20-22-15)12-6-5-11(17)7-13(12)18/h1-7H,8H2/t23-/m0/s1
InChIKeyLWCULHLYRLELFK-QHCPKHFHSA-N
XLogP5.47
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.74
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dichlorophenyl)-5-(4-methylphenyl)sulfinylthiadiazole
CID 1474067
N-[[4-(2,4-dichlorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65209016
5-chloro-2-[(4-chlorophenyl)methylsulfinyl]aniline
CID 81175311
1-chloro-4-[(4-iodophenyl)sulfinylmethyl]benzene
CID 154124087
4-bromo-3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole
CID 22087237
3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole-4-carbonyl chloride
CID 154099500
4-(2-chloro-4-methylphenyl)-5-methylthiadiazole
CID 71017980
5,6-dichloro-2-[(4-chlorophenyl)methylsulfinyl]-1,3-benzoxazole
CID 165390740
2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 58094854
[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine
CID 61271772
6-chloro-2,3-bis(2,4-dichlorophenyl)pyridine
CID 133088206
2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 59363230

Frequently Asked Questions

What is the IUPAC name of 5-[(S)-(4-chlorophenyl)methylsulfinyl]-4-(2,4-dichlorophenyl)thiadiazole?
The IUPAC name of 5-[(S)-(4-chlorophenyl)methylsulfinyl]-4-(2,4-dichlorophenyl)thiadiazole (CID 40554327) is 5-[(S)-(4-chlorophenyl)methylsulfinyl]-4-(2,4-dichlorophenyl)thiadiazole.
What is the SMILES notation for 5-[(S)-(4-chlorophenyl)methylsulfinyl]-4-(2,4-dichlorophenyl)thiadiazole?
The canonical SMILES for 5-[(S)-(4-chlorophenyl)methylsulfinyl]-4-(2,4-dichlorophenyl)thiadiazole is O=[S@@](Cc1ccc(Cl)cc1)c1snnc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-[(S)-(4-chlorophenyl)methylsulfinyl]-4-(2,4-dichlorophenyl)thiadiazole?
The InChIKey is LWCULHLYRLELFK-QHCPKHFHSA-N. The full InChI is InChI=1S/C15H9Cl3N2OS2/c16-10-3-1-9(2-4-10)8-23(21)15-14(19-20-22-15)12-6-5-11(17)7-13(12)18/h1-7H,8H2/t23-/m0/s1.
What are the key properties of 5-[(S)-(4-chlorophenyl)methylsulfinyl]-4-(2,4-dichlorophenyl)thiadiazole?
5-[(S)-(4-chlorophenyl)methylsulfinyl]-4-(2,4-dichlorophenyl)thiadiazole has a molecular weight of 403.74 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(S)-(4-chlorophenyl)methylsulfinyl]-4-(2,4-dichlorophenyl)thiadiazole is sourced from PubChem (CID 40554327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).