6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride

C6H7ClN2O2S — CID 122480749

IUPAC6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn2c(n1)CCC2
InChIInChI=1S/C6H7ClN2O2S/c7-12(10,11)6-4-9-3-1-2-5(9)8-6/h4H,1-3H2
InChIKeyJCXKJCBHFOIVPE-UHFFFAOYSA-N
MW206.65 g/mol
LogP0.76
Rot. Bonds1

About 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride

6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride (PubChem CID 122480749) has the molecular formula C6H7ClN2O2S and a molecular weight of 206.65 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride
PubChem CID122480749
Molecular FormulaC6H7ClN2O2S
Molecular Weight206.65 g/mol
Exact Mass205.99
IUPAC Name6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn2c(n1)CCC2
InChIInChI=1S/C6H7ClN2O2S/c7-12(10,11)6-4-9-3-1-2-5(9)8-6/h4H,1-3H2
InChIKeyJCXKJCBHFOIVPE-UHFFFAOYSA-N
XLogP0.76
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.65
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride (CID 122480749) is 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride is O=S(=O)(Cl)c1cn2c(n1)CCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride?
The InChIKey is JCXKJCBHFOIVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2S/c7-12(10,11)6-4-9-3-1-2-5(9)8-6/h4H,1-3H2.
What are the key properties of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride?
6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride has a molecular weight of 206.65 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride is sourced from PubChem (CID 122480749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).