4-bromo-1,3-thiazole-2-sulfonyl fluoride

C3HBrFNO2S2 — CID 130766356

IUPAC4-bromo-1,3-thiazole-2-sulfonyl fluoride
SMILESO=S(=O)(F)c1nc(Br)cs1
InChIInChI=1S/C3HBrFNO2S2/c4-2-1-9-3(6-2)10(5,7)8/h1H
InChIKeyCNNOLVIBOPAKCO-UHFFFAOYSA-N
MW246.08 g/mol
LogP1.56
Rot. Bonds1

About 4-bromo-1,3-thiazole-2-sulfonyl fluoride

4-bromo-1,3-thiazole-2-sulfonyl fluoride (PubChem CID 130766356) has the molecular formula C3HBrFNO2S2 and a molecular weight of 246.08 g/mol. Its IUPAC name is 4-bromo-1,3-thiazole-2-sulfonyl fluoride.

Molecular Properties

Compound Name4-bromo-1,3-thiazole-2-sulfonyl fluoride
PubChem CID130766356
Molecular FormulaC3HBrFNO2S2
Molecular Weight246.08 g/mol
Exact Mass244.86
IUPAC Name4-bromo-1,3-thiazole-2-sulfonyl fluoride
SMILESO=S(=O)(F)c1nc(Br)cs1
InChIInChI=1S/C3HBrFNO2S2/c4-2-1-9-3(6-2)10(5,7)8/h1H
InChIKeyCNNOLVIBOPAKCO-UHFFFAOYSA-N
XLogP1.56
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Bromo-1,3-thiazole-4-sulfonyl chloride
CID 145913849
4-Chloro-1,3-thiazole-2-sulfonyl fluoride
CID 146081934
2-Bromo-1,3-thiazole-4-sulfonyl fluoride
CID 165842272
2-Fluoro-1,3-thiazole-4-sulfonyl fluoride
CID 165889718
2-Chloro-1,3-thiazole-4-sulfonyl fluoride
CID 165922177
4-Bromo-2-(methylsulfonyl)thiazole
CID 66520307
4-Bromo-2-propan-2-ylsulfonyl-1,3-thiazole
CID 117189196
(4-Bromo-1,3-thiazol-2-yl) sulfite
CID 174714042
(4-Bromo-1,3-thiazol-2-yl)methanesulfinate
CID 174892984
4-Bromo-2-methylsulfinyl-1,3-thiazole
CID 66520305
4-Bromothiazole-2-sulfonic acid
CID 72219213
4-Bromo-2-(2-methylsulfonylethylsulfanyl)-1,3-thiazole
CID 79398712

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,3-thiazole-2-sulfonyl fluoride?
The IUPAC name of 4-bromo-1,3-thiazole-2-sulfonyl fluoride (CID 130766356) is 4-bromo-1,3-thiazole-2-sulfonyl fluoride.
What is the SMILES notation for 4-bromo-1,3-thiazole-2-sulfonyl fluoride?
The canonical SMILES for 4-bromo-1,3-thiazole-2-sulfonyl fluoride is O=S(=O)(F)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-1,3-thiazole-2-sulfonyl fluoride?
The InChIKey is CNNOLVIBOPAKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HBrFNO2S2/c4-2-1-9-3(6-2)10(5,7)8/h1H.
What are the key properties of 4-bromo-1,3-thiazole-2-sulfonyl fluoride?
4-bromo-1,3-thiazole-2-sulfonyl fluoride has a molecular weight of 246.08 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,3-thiazole-2-sulfonyl fluoride is sourced from PubChem (CID 130766356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).