2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-1,3-thiazole

C18H15Cl2NO4S3 — CID 167344425

IUPAC2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-1,3-thiazole
SMILESCOCCS(=O)c1sc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H15Cl2NO4S3/c1-25-10-11-27(22)18-17(28(23,24)15-8-6-14(20)7-9-15)21-16(26-18)12-2-4-13(19)5-3-12/h2-9H,10-11H2,1H3
InChIKeyWGVSOHPSIVPBAR-UHFFFAOYSA-N
MW476.43 g/mol
LogP4.70
Rot. Bonds7

About 2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-1,3-thiazole

2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-1,3-thiazole (PubChem CID 167344425) has the molecular formula C18H15Cl2NO4S3 and a molecular weight of 476.43 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-1,3-thiazole
PubChem CID167344425
Molecular FormulaC18H15Cl2NO4S3
Molecular Weight476.43 g/mol
Exact Mass474.95
IUPAC Name2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-1,3-thiazole
SMILESCOCCS(=O)c1sc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H15Cl2NO4S3/c1-25-10-11-27(22)18-17(28(23,24)15-8-6-14(20)7-9-15)21-16(26-18)12-2-4-13(19)5-3-12/h2-9H,10-11H2,1H3
InChIKeyWGVSOHPSIVPBAR-UHFFFAOYSA-N
XLogP4.70
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-2-phenyl-1,3-thiazole
CID 167344429
4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfonyl)-2-naphthalen-2-yl-1,3-thiazole
CID 167344286
4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-(2-methoxyethylsulfonyl)-1,3-thiazole
CID 167344371
2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 4704793
5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole
CID 45495724
4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3-oxazol-5-amine
CID 18827102
4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 4704848
5-[4-(4-chlorophenyl)sulfonylphenyl]-3H-1,3,4-thiadiazole-2-thione
CID 5228058
4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-propan-2-ylsulfonyl-1,3-thiazole
CID 167344236
[5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl] 4-chlorobenzoate
CID 51602906
4-chloro-2-(2-methoxyethylsulfinyl)aniline
CID 81180933
2-ethylsulfonyl-N-(2-methoxyethyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine
CID 20888758

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-1,3-thiazole (CID 167344425) is 2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-1,3-thiazole is COCCS(=O)c1sc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-1,3-thiazole?
The InChIKey is WGVSOHPSIVPBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO4S3/c1-25-10-11-27(22)18-17(28(23,24)15-8-6-14(20)7-9-15)21-16(26-18)12-2-4-13(19)5-3-12/h2-9H,10-11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-1,3-thiazole?
2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-1,3-thiazole has a molecular weight of 476.43 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-1,3-thiazole is sourced from PubChem (CID 167344425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).