2-(3-methyl-2H-imidazol-1-yl)ethanesulfonyl chloride

C6H11ClN2O2S — CID 21102654

IUPAC2-(3-methyl-2H-imidazol-1-yl)ethanesulfonyl chloride
SMILESCN1C=CN(CCS(=O)(=O)Cl)C1
InChIInChI=1S/C6H11ClN2O2S/c1-8-2-3-9(6-8)4-5-12(7,10)11/h2-3H,4-6H2,1H3
InChIKeyZYDSJPZFBADVIC-UHFFFAOYSA-N
MW210.69 g/mol
LogP0.23
Rot. Bonds3

About 2-(3-methyl-2H-imidazol-1-yl)ethanesulfonyl chloride

2-(3-methyl-2H-imidazol-1-yl)ethanesulfonyl chloride (PubChem CID 21102654) has the molecular formula C6H11ClN2O2S and a molecular weight of 210.69 g/mol. Its IUPAC name is 2-(3-methyl-2H-imidazol-1-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(3-methyl-2H-imidazol-1-yl)ethanesulfonyl chloride
PubChem CID21102654
Molecular FormulaC6H11ClN2O2S
Molecular Weight210.69 g/mol
Exact Mass210.02
IUPAC Name2-(3-methyl-2H-imidazol-1-yl)ethanesulfonyl chloride
SMILESCN1C=CN(CCS(=O)(=O)Cl)C1
InChIInChI=1S/C6H11ClN2O2S/c1-8-2-3-9(6-8)4-5-12(7,10)11/h2-3H,4-6H2,1H3
InChIKeyZYDSJPZFBADVIC-UHFFFAOYSA-N
XLogP0.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)ethanesulfonyl chloride (CID 21102654) is 2-(3-methyl-2H-imidazol-1-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(3-methyl-2H-imidazol-1-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(3-methyl-2H-imidazol-1-yl)ethanesulfonyl chloride is CN1C=CN(CCS(=O)(=O)Cl)C1.
What is the InChIKey of 2-(3-methyl-2H-imidazol-1-yl)ethanesulfonyl chloride?
The InChIKey is ZYDSJPZFBADVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2O2S/c1-8-2-3-9(6-8)4-5-12(7,10)11/h2-3H,4-6H2,1H3.
What are the key properties of 2-(3-methyl-2H-imidazol-1-yl)ethanesulfonyl chloride?
2-(3-methyl-2H-imidazol-1-yl)ethanesulfonyl chloride has a molecular weight of 210.69 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2H-imidazol-1-yl)ethanesulfonyl chloride is sourced from PubChem (CID 21102654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).