4-(fluoromethyl)thiophene-2-sulfonyl chloride

C5H4ClFO2S2 — CID 105468160

IUPAC4-(fluoromethyl)thiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(CF)cs1
InChIInChI=1S/C5H4ClFO2S2/c6-11(8,9)5-1-4(2-7)3-10-5/h1,3H,2H2
InChIKeyMTJRVOBQVDALNI-UHFFFAOYSA-N
MW214.67 g/mol
LogP2.15
Rot. Bonds2

About 4-(fluoromethyl)thiophene-2-sulfonyl chloride

4-(fluoromethyl)thiophene-2-sulfonyl chloride (PubChem CID 105468160) has the molecular formula C5H4ClFO2S2 and a molecular weight of 214.67 g/mol. Its IUPAC name is 4-(fluoromethyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-(fluoromethyl)thiophene-2-sulfonyl chloride
PubChem CID105468160
Molecular FormulaC5H4ClFO2S2
Molecular Weight214.67 g/mol
Exact Mass213.93
IUPAC Name4-(fluoromethyl)thiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(CF)cs1
InChIInChI=1S/C5H4ClFO2S2/c6-11(8,9)5-1-4(2-7)3-10-5/h1,3H,2H2
InChIKeyMTJRVOBQVDALNI-UHFFFAOYSA-N
XLogP2.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 4-(fluoromethyl)thiophene-2-sulfonyl chloride (CID 105468160) is 4-(fluoromethyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-(fluoromethyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 4-(fluoromethyl)thiophene-2-sulfonyl chloride is O=S(=O)(Cl)c1cc(CF)cs1.
What is the InChIKey of 4-(fluoromethyl)thiophene-2-sulfonyl chloride?
The InChIKey is MTJRVOBQVDALNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFO2S2/c6-11(8,9)5-1-4(2-7)3-10-5/h1,3H,2H2.
What are the key properties of 4-(fluoromethyl)thiophene-2-sulfonyl chloride?
4-(fluoromethyl)thiophene-2-sulfonyl chloride has a molecular weight of 214.67 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 105468160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).