2,5-dichloro-1-methylimidazole-4-sulfonyl fluoride

C4H3Cl2FN2O2S — CID 165459597

IUPAC2,5-dichloro-1-methylimidazole-4-sulfonyl fluoride
SMILESCn1c(Cl)nc(S(=O)(=O)F)c1Cl
InChIInChI=1S/C4H3Cl2FN2O2S/c1-9-2(5)3(8-4(9)6)12(7,10)11/h1H3
InChIKeyRSBYOBAZWCXKRV-UHFFFAOYSA-N
MW233.05 g/mol
LogP1.39
Rot. Bonds1

About 2,5-dichloro-1-methylimidazole-4-sulfonyl fluoride

2,5-dichloro-1-methylimidazole-4-sulfonyl fluoride (PubChem CID 165459597) has the molecular formula C4H3Cl2FN2O2S and a molecular weight of 233.05 g/mol. Its IUPAC name is 2,5-dichloro-1-methylimidazole-4-sulfonyl fluoride.

Molecular Properties

Compound Name2,5-dichloro-1-methylimidazole-4-sulfonyl fluoride
PubChem CID165459597
Molecular FormulaC4H3Cl2FN2O2S
Molecular Weight233.05 g/mol
Exact Mass231.93
IUPAC Name2,5-dichloro-1-methylimidazole-4-sulfonyl fluoride
SMILESCn1c(Cl)nc(S(=O)(=O)F)c1Cl
InChIInChI=1S/C4H3Cl2FN2O2S/c1-9-2(5)3(8-4(9)6)12(7,10)11/h1H3
InChIKeyRSBYOBAZWCXKRV-UHFFFAOYSA-N
XLogP1.39
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.05
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-1-methylimidazole-4-sulfonyl fluoride?
The IUPAC name of 2,5-dichloro-1-methylimidazole-4-sulfonyl fluoride (CID 165459597) is 2,5-dichloro-1-methylimidazole-4-sulfonyl fluoride.
What is the SMILES notation for 2,5-dichloro-1-methylimidazole-4-sulfonyl fluoride?
The canonical SMILES for 2,5-dichloro-1-methylimidazole-4-sulfonyl fluoride is Cn1c(Cl)nc(S(=O)(=O)F)c1Cl.
What is the InChIKey of 2,5-dichloro-1-methylimidazole-4-sulfonyl fluoride?
The InChIKey is RSBYOBAZWCXKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl2FN2O2S/c1-9-2(5)3(8-4(9)6)12(7,10)11/h1H3.
What are the key properties of 2,5-dichloro-1-methylimidazole-4-sulfonyl fluoride?
2,5-dichloro-1-methylimidazole-4-sulfonyl fluoride has a molecular weight of 233.05 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-1-methylimidazole-4-sulfonyl fluoride is sourced from PubChem (CID 165459597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).