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

C18H16ClNO4S3 — CID 167344429

IUPAC4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-2-phenyl-1,3-thiazole
SMILESCOCCS(=O)c1sc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClNO4S3/c1-24-11-12-26(21)18-17(20-16(25-18)13-5-3-2-4-6-13)27(22,23)15-9-7-14(19)8-10-15/h2-10H,11-12H2,1H3
InChIKeyFXLDKTHXIZCYSK-UHFFFAOYSA-N
MW441.98 g/mol
LogP4.05
Rot. Bonds7

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

4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-2-phenyl-1,3-thiazole (PubChem CID 167344429) has the molecular formula C18H16ClNO4S3 and a molecular weight of 441.98 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-2-phenyl-1,3-thiazole
PubChem CID167344429
Molecular FormulaC18H16ClNO4S3
Molecular Weight441.98 g/mol
Exact Mass440.99
IUPAC Name4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-2-phenyl-1,3-thiazole
SMILESCOCCS(=O)c1sc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClNO4S3/c1-24-11-12-26(21)18-17(20-16(25-18)13-5-3-2-4-6-13)27(22,23)15-9-7-14(19)8-10-15/h2-10H,11-12H2,1H3
InChIKeyFXLDKTHXIZCYSK-UHFFFAOYSA-N
XLogP4.05
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.98
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-1,3-thiazole
CID 167344425
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)sulfonyl-5-phenyl-1,3,4-thiadiazole
CID 10568909
4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-propan-2-ylsulfonyl-1,3-thiazole
CID 167344236
2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 4704793
N-benzyl-5-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine
CID 135000474
2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine
CID 18826632
4-chloro-2-(2-methoxyethylsulfinyl)aniline
CID 81180933
4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-N-[(1R)-1-phenylethyl]-1,3-thiazol-5-amine
CID 40870153
4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 2386160
4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3-oxazol-5-amine
CID 18827102

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-2-phenyl-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-2-phenyl-1,3-thiazole (CID 167344429) is 4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-2-phenyl-1,3-thiazole is COCCS(=O)c1sc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-2-phenyl-1,3-thiazole?
The InChIKey is FXLDKTHXIZCYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4S3/c1-24-11-12-26(21)18-17(20-16(25-18)13-5-3-2-4-6-13)27(22,23)15-9-7-14(19)8-10-15/h2-10H,11-12H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-2-phenyl-1,3-thiazole?
4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-2-phenyl-1,3-thiazole has a molecular weight of 441.98 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-2-phenyl-1,3-thiazole is sourced from PubChem (CID 167344429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).