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

C7H13ClN2O2S — CID 57007312

IUPAC2-(3-ethyl-2H-imidazol-1-yl)ethanesulfonyl chloride
SMILESCCN1C=CN(CCS(=O)(=O)Cl)C1
InChIInChI=1S/C7H13ClN2O2S/c1-2-9-3-4-10(7-9)5-6-13(8,11)12/h3-4H,2,5-7H2,1H3
InChIKeyFGYCZLKFLKFYBD-UHFFFAOYSA-N
MW224.71 g/mol
LogP0.62
Rot. Bonds4

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

2-(3-ethyl-2H-imidazol-1-yl)ethanesulfonyl chloride (PubChem CID 57007312) has the molecular formula C7H13ClN2O2S and a molecular weight of 224.71 g/mol. Its IUPAC name is 2-(3-ethyl-2H-imidazol-1-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(3-ethyl-2H-imidazol-1-yl)ethanesulfonyl chloride
PubChem CID57007312
Molecular FormulaC7H13ClN2O2S
Molecular Weight224.71 g/mol
Exact Mass224.04
IUPAC Name2-(3-ethyl-2H-imidazol-1-yl)ethanesulfonyl chloride
SMILESCCN1C=CN(CCS(=O)(=O)Cl)C1
InChIInChI=1S/C7H13ClN2O2S/c1-2-9-3-4-10(7-9)5-6-13(8,11)12/h3-4H,2,5-7H2,1H3
InChIKeyFGYCZLKFLKFYBD-UHFFFAOYSA-N
XLogP0.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.71
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2H-imidazol-1-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(3-ethyl-2H-imidazol-1-yl)ethanesulfonyl chloride (CID 57007312) is 2-(3-ethyl-2H-imidazol-1-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(3-ethyl-2H-imidazol-1-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(3-ethyl-2H-imidazol-1-yl)ethanesulfonyl chloride is CCN1C=CN(CCS(=O)(=O)Cl)C1.
What is the InChIKey of 2-(3-ethyl-2H-imidazol-1-yl)ethanesulfonyl chloride?
The InChIKey is FGYCZLKFLKFYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2O2S/c1-2-9-3-4-10(7-9)5-6-13(8,11)12/h3-4H,2,5-7H2,1H3.
What are the key properties of 2-(3-ethyl-2H-imidazol-1-yl)ethanesulfonyl chloride?
2-(3-ethyl-2H-imidazol-1-yl)ethanesulfonyl chloride has a molecular weight of 224.71 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2H-imidazol-1-yl)ethanesulfonyl chloride is sourced from PubChem (CID 57007312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).