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

C3HClFNO2S2 — CID 146081934

IUPAC4-chloro-1,3-thiazole-2-sulfonyl fluoride
SMILESO=S(=O)(F)c1nc(Cl)cs1
InChIInChI=1S/C3HClFNO2S2/c4-2-1-9-3(6-2)10(5,7)8/h1H
InChIKeyOOIMYKGRXSLNKD-UHFFFAOYSA-N
MW201.63 g/mol
LogP1.45
Rot. Bonds1

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

4-chloro-1,3-thiazole-2-sulfonyl fluoride (PubChem CID 146081934) has the molecular formula C3HClFNO2S2 and a molecular weight of 201.63 g/mol. Its IUPAC name is 4-chloro-1,3-thiazole-2-sulfonyl fluoride.

Molecular Properties

Compound Name4-chloro-1,3-thiazole-2-sulfonyl fluoride
PubChem CID146081934
Molecular FormulaC3HClFNO2S2
Molecular Weight201.63 g/mol
Exact Mass200.91
IUPAC Name4-chloro-1,3-thiazole-2-sulfonyl fluoride
SMILESO=S(=O)(F)c1nc(Cl)cs1
InChIInChI=1S/C3HClFNO2S2/c4-2-1-9-3(6-2)10(5,7)8/h1H
InChIKeyOOIMYKGRXSLNKD-UHFFFAOYSA-N
XLogP1.45
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-thiazole-2-sulfonyl fluoride?
The IUPAC name of 4-chloro-1,3-thiazole-2-sulfonyl fluoride (CID 146081934) is 4-chloro-1,3-thiazole-2-sulfonyl fluoride.
What is the SMILES notation for 4-chloro-1,3-thiazole-2-sulfonyl fluoride?
The canonical SMILES for 4-chloro-1,3-thiazole-2-sulfonyl fluoride is O=S(=O)(F)c1nc(Cl)cs1.
What is the InChIKey of 4-chloro-1,3-thiazole-2-sulfonyl fluoride?
The InChIKey is OOIMYKGRXSLNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HClFNO2S2/c4-2-1-9-3(6-2)10(5,7)8/h1H.
What are the key properties of 4-chloro-1,3-thiazole-2-sulfonyl fluoride?
4-chloro-1,3-thiazole-2-sulfonyl fluoride has a molecular weight of 201.63 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-thiazole-2-sulfonyl fluoride is sourced from PubChem (CID 146081934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).