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

C6H6Cl2N2O2S — CID 84702385

IUPAC3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nc2n(c1Cl)CCC2
InChIInChI=1S/C6H6Cl2N2O2S/c7-5-6(13(8,11)12)9-4-2-1-3-10(4)5/h1-3H2
InChIKeyCHDKSAUTPUPVJH-UHFFFAOYSA-N
MW241.10 g/mol
LogP1.41
Rot. Bonds1

About 3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride

3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride (PubChem CID 84702385) has the molecular formula C6H6Cl2N2O2S and a molecular weight of 241.10 g/mol. Its IUPAC name is 3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride.

Molecular Properties

Compound Name3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride
PubChem CID84702385
Molecular FormulaC6H6Cl2N2O2S
Molecular Weight241.10 g/mol
Exact Mass239.95
IUPAC Name3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nc2n(c1Cl)CCC2
InChIInChI=1S/C6H6Cl2N2O2S/c7-5-6(13(8,11)12)9-4-2-1-3-10(4)5/h1-3H2
InChIKeyCHDKSAUTPUPVJH-UHFFFAOYSA-N
XLogP1.41
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.10
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 84699046
2-amino-1-(3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethanone
CID 112545884
2-chloro-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 123716974
9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-sulfonyl chloride
CID 129451720
(3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanol
CID 84660796
methyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
CID 130909668
5-chloro-1,2-dimethylimidazole-4-sulfonyl chloride
CID 91534940
2,5-dichloro-1-methylimidazole-4-sulfonyl chloride
CID 71756159
2-chloro-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-amine
CID 123211990
2-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)propan-2-ol
CID 84669778
3-bromo-2-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 84699047
7,8-dihydro-6H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione
CID 10397016

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride?
The IUPAC name of 3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride (CID 84702385) is 3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride.
What is the SMILES notation for 3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride?
The canonical SMILES for 3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride is O=S(=O)(Cl)c1nc2n(c1Cl)CCC2.
What is the InChIKey of 3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride?
The InChIKey is CHDKSAUTPUPVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O2S/c7-5-6(13(8,11)12)9-4-2-1-3-10(4)5/h1-3H2.
What are the key properties of 3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride?
3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride has a molecular weight of 241.10 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride is sourced from PubChem (CID 84702385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).