1-(3-fluoropropyl)imidazole-4-sulfonyl chloride

C6H8ClFN2O2S — CID 81113786

IUPAC1-(3-fluoropropyl)imidazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn(CCCF)cn1
InChIInChI=1S/C6H8ClFN2O2S/c7-13(11,12)6-4-10(5-9-6)3-1-2-8/h4-5H,1-3H2
InChIKeyWIRJXGCHDLQXIR-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.17
Rot. Bonds4

About 1-(3-fluoropropyl)imidazole-4-sulfonyl chloride

1-(3-fluoropropyl)imidazole-4-sulfonyl chloride (PubChem CID 81113786) has the molecular formula C6H8ClFN2O2S and a molecular weight of 226.66 g/mol. Its IUPAC name is 1-(3-fluoropropyl)imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-fluoropropyl)imidazole-4-sulfonyl chloride
PubChem CID81113786
Molecular FormulaC6H8ClFN2O2S
Molecular Weight226.66 g/mol
Exact Mass226.00
IUPAC Name1-(3-fluoropropyl)imidazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn(CCCF)cn1
InChIInChI=1S/C6H8ClFN2O2S/c7-13(11,12)6-4-10(5-9-6)3-1-2-8/h4-5H,1-3H2
InChIKeyWIRJXGCHDLQXIR-UHFFFAOYSA-N
XLogP1.17
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)imidazole-4-sulfonyl chloride?
The IUPAC name of 1-(3-fluoropropyl)imidazole-4-sulfonyl chloride (CID 81113786) is 1-(3-fluoropropyl)imidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(3-fluoropropyl)imidazole-4-sulfonyl chloride?
The canonical SMILES for 1-(3-fluoropropyl)imidazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cn(CCCF)cn1.
What is the InChIKey of 1-(3-fluoropropyl)imidazole-4-sulfonyl chloride?
The InChIKey is WIRJXGCHDLQXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClFN2O2S/c7-13(11,12)6-4-10(5-9-6)3-1-2-8/h4-5H,1-3H2.
What are the key properties of 1-(3-fluoropropyl)imidazole-4-sulfonyl chloride?
1-(3-fluoropropyl)imidazole-4-sulfonyl chloride has a molecular weight of 226.66 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)imidazole-4-sulfonyl chloride is sourced from PubChem (CID 81113786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).