2-[(2-bromo-3-fluorophenyl)methylsulfonyl]-1,3-thiazole

C10H7BrFNO2S2 — CID 167847159

IUPAC2-[(2-bromo-3-fluorophenyl)methylsulfonyl]-1,3-thiazole
SMILESO=S(=O)(Cc1cccc(F)c1Br)c1nccs1
InChIInChI=1S/C10H7BrFNO2S2/c11-9-7(2-1-3-8(9)12)6-17(14,15)10-13-4-5-16-10/h1-5H,6H2
InChIKeyCXSOYCDTKCEWPZ-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.02
Rot. Bonds3

About 2-[(2-bromo-3-fluorophenyl)methylsulfonyl]-1,3-thiazole

2-[(2-bromo-3-fluorophenyl)methylsulfonyl]-1,3-thiazole (PubChem CID 167847159) has the molecular formula C10H7BrFNO2S2 and a molecular weight of 336.21 g/mol. Its IUPAC name is 2-[(2-bromo-3-fluorophenyl)methylsulfonyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-bromo-3-fluorophenyl)methylsulfonyl]-1,3-thiazole
PubChem CID167847159
Molecular FormulaC10H7BrFNO2S2
Molecular Weight336.21 g/mol
Exact Mass334.91
IUPAC Name2-[(2-bromo-3-fluorophenyl)methylsulfonyl]-1,3-thiazole
SMILESO=S(=O)(Cc1cccc(F)c1Br)c1nccs1
InChIInChI=1S/C10H7BrFNO2S2/c11-9-7(2-1-3-8(9)12)6-17(14,15)10-13-4-5-16-10/h1-5H,6H2
InChIKeyCXSOYCDTKCEWPZ-UHFFFAOYSA-N
XLogP3.02
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3-fluorophenyl)methylsulfonyl]-1,3-thiazole?
The IUPAC name of 2-[(2-bromo-3-fluorophenyl)methylsulfonyl]-1,3-thiazole (CID 167847159) is 2-[(2-bromo-3-fluorophenyl)methylsulfonyl]-1,3-thiazole.
What is the SMILES notation for 2-[(2-bromo-3-fluorophenyl)methylsulfonyl]-1,3-thiazole?
The canonical SMILES for 2-[(2-bromo-3-fluorophenyl)methylsulfonyl]-1,3-thiazole is O=S(=O)(Cc1cccc(F)c1Br)c1nccs1.
What is the InChIKey of 2-[(2-bromo-3-fluorophenyl)methylsulfonyl]-1,3-thiazole?
The InChIKey is CXSOYCDTKCEWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO2S2/c11-9-7(2-1-3-8(9)12)6-17(14,15)10-13-4-5-16-10/h1-5H,6H2.
What are the key properties of 2-[(2-bromo-3-fluorophenyl)methylsulfonyl]-1,3-thiazole?
2-[(2-bromo-3-fluorophenyl)methylsulfonyl]-1,3-thiazole has a molecular weight of 336.21 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-3-fluorophenyl)methylsulfonyl]-1,3-thiazole is sourced from PubChem (CID 167847159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).