4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-propan-2-ylsulfonyl-1,3-thiazole

C18H15ClFNO4S3 — CID 167344236

IUPAC4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-propan-2-ylsulfonyl-1,3-thiazole
SMILESCC(C)S(=O)(=O)c1sc(-c2cccc(F)c2)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClFNO4S3/c1-11(2)27(22,23)18-17(28(24,25)15-8-6-13(19)7-9-15)21-16(26-18)12-4-3-5-14(20)10-12/h3-11H,1-2H3
InChIKeyJJTNKQLQODSGKY-UHFFFAOYSA-N
MW459.97 g/mol
LogP4.62
Rot. Bonds5

About 4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-propan-2-ylsulfonyl-1,3-thiazole

4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-propan-2-ylsulfonyl-1,3-thiazole (PubChem CID 167344236) has the molecular formula C18H15ClFNO4S3 and a molecular weight of 459.97 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-propan-2-ylsulfonyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-propan-2-ylsulfonyl-1,3-thiazole
PubChem CID167344236
Molecular FormulaC18H15ClFNO4S3
Molecular Weight459.97 g/mol
Exact Mass458.98
IUPAC Name4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-propan-2-ylsulfonyl-1,3-thiazole
SMILESCC(C)S(=O)(=O)c1sc(-c2cccc(F)c2)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClFNO4S3/c1-11(2)27(22,23)18-17(28(24,25)15-8-6-13(19)7-9-15)21-16(26-18)12-4-3-5-14(20)10-12/h3-11H,1-2H3
InChIKeyJJTNKQLQODSGKY-UHFFFAOYSA-N
XLogP4.62
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.97
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-(2-methoxyethylsulfonyl)-1,3-thiazole
CID 167344371
2-(3-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-(2-methylpropylsulfinyl)-1,3-thiazole
CID 167344279
4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfonyl)-2-naphthalen-2-yl-1,3-thiazole
CID 167344286
4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-2-phenyl-1,3-thiazole
CID 167344429
2-chloro-5-(3-fluorophenyl)-1,3,4-thiadiazole
CID 13318779
2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-ol
CID 116886109
5-chloro-4-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine
CID 2321668
2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-1,3-thiazole
CID 167344425
2-(4-chlorophenyl)sulfonyl-5-phenyl-1,3,4-thiadiazole
CID 10568909
1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287800
2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine
CID 83107881
3-fluoro-4-(3-fluorophenyl)benzenesulfonyl chloride
CID 46312302

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-propan-2-ylsulfonyl-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-propan-2-ylsulfonyl-1,3-thiazole (CID 167344236) is 4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-propan-2-ylsulfonyl-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-propan-2-ylsulfonyl-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-propan-2-ylsulfonyl-1,3-thiazole is CC(C)S(=O)(=O)c1sc(-c2cccc(F)c2)nc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-propan-2-ylsulfonyl-1,3-thiazole?
The InChIKey is JJTNKQLQODSGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO4S3/c1-11(2)27(22,23)18-17(28(24,25)15-8-6-13(19)7-9-15)21-16(26-18)12-4-3-5-14(20)10-12/h3-11H,1-2H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-propan-2-ylsulfonyl-1,3-thiazole?
4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-propan-2-ylsulfonyl-1,3-thiazole has a molecular weight of 459.97 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-propan-2-ylsulfonyl-1,3-thiazole is sourced from PubChem (CID 167344236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).