4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-phenyl-1,3-thiazole

C17H13Cl2NO2S2 — CID 5101807

IUPAC4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-phenyl-1,3-thiazole
SMILESCCS(=O)(=O)c1ccc(-c2csc(-c3ccccc3)n2)c(Cl)c1Cl
InChIInChI=1S/C17H13Cl2NO2S2/c1-2-24(21,22)14-9-8-12(15(18)16(14)19)13-10-23-17(20-13)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyUCTQIAQYQMZDRZ-UHFFFAOYSA-N
MW398.34 g/mol
LogP5.58
Rot. Bonds4

About 4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-phenyl-1,3-thiazole

4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-phenyl-1,3-thiazole (PubChem CID 5101807) has the molecular formula C17H13Cl2NO2S2 and a molecular weight of 398.34 g/mol. Its IUPAC name is 4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-phenyl-1,3-thiazole
PubChem CID5101807
Molecular FormulaC17H13Cl2NO2S2
Molecular Weight398.34 g/mol
Exact Mass396.98
IUPAC Name4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-phenyl-1,3-thiazole
SMILESCCS(=O)(=O)c1ccc(-c2csc(-c3ccccc3)n2)c(Cl)c1Cl
InChIInChI=1S/C17H13Cl2NO2S2/c1-2-24(21,22)14-9-8-12(15(18)16(14)19)13-10-23-17(20-13)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyUCTQIAQYQMZDRZ-UHFFFAOYSA-N
XLogP5.58
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.34
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-phenyl-1,3-thiazole?
The IUPAC name of 4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-phenyl-1,3-thiazole (CID 5101807) is 4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-phenyl-1,3-thiazole is CCS(=O)(=O)c1ccc(-c2csc(-c3ccccc3)n2)c(Cl)c1Cl.
What is the InChIKey of 4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-phenyl-1,3-thiazole?
The InChIKey is UCTQIAQYQMZDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO2S2/c1-2-24(21,22)14-9-8-12(15(18)16(14)19)13-10-23-17(20-13)11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of 4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-phenyl-1,3-thiazole?
4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-phenyl-1,3-thiazole has a molecular weight of 398.34 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-phenyl-1,3-thiazole is sourced from PubChem (CID 5101807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).