2-imidazol-1-ylethanesulfonyl chloride;hydrochloride

C5H8Cl2N2O2S — CID 122164201

IUPAC2-imidazol-1-ylethanesulfonyl chloride;hydrochloride
SMILESCl.O=S(=O)(Cl)CCn1ccnc1
InChIInChI=1S/C5H7ClN2O2S.ClH/c6-11(9,10)4-3-8-2-1-7-5-8;/h1-2,5H,3-4H2;1H
InChIKeyLYKDUFWVFGBVDG-UHFFFAOYSA-N
MW231.10 g/mol
LogP0.87
Rot. Bonds3

About 2-imidazol-1-ylethanesulfonyl chloride;hydrochloride

2-imidazol-1-ylethanesulfonyl chloride;hydrochloride (PubChem CID 122164201) has the molecular formula C5H8Cl2N2O2S and a molecular weight of 231.10 g/mol. Its IUPAC name is 2-imidazol-1-ylethanesulfonyl chloride;hydrochloride.

Molecular Properties

Compound Name2-imidazol-1-ylethanesulfonyl chloride;hydrochloride
PubChem CID122164201
Molecular FormulaC5H8Cl2N2O2S
Molecular Weight231.10 g/mol
Exact Mass229.97
IUPAC Name2-imidazol-1-ylethanesulfonyl chloride;hydrochloride
SMILESCl.O=S(=O)(Cl)CCn1ccnc1
InChIInChI=1S/C5H7ClN2O2S.ClH/c6-11(9,10)4-3-8-2-1-7-5-8;/h1-2,5H,3-4H2;1H
InChIKeyLYKDUFWVFGBVDG-UHFFFAOYSA-N
XLogP0.87
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.10
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-3-methylimidazolium methanesulfonate
CID 16211849
1-Ethyl-3-methylimidazolium trifluoromethanesulfonate
CID 2758874
1-Ethyl-3-methylimidazolium hydrogen sulfate
CID 16217215
1-Butyl-3-methylimidazolium methanesulfonate
CID 11492381
1-Ethyl-3-methylimidazolium methyl sulfate
CID 16211409
1-Ethyl-3-methylimidazolium 1,1,2,2-tetrafluoroethanesulfonate
CID 71310875
N-Methylsulfonylimidazole
CID 521009
1-methyl-1H-imidazole-4-sulfonyl chloride
CID 2736887
1-(4-Sulfobutyl)-3-methylimidazolium hydrogen sulfate
CID 11290044
1,3-Dimethylimidazolium methanesulfonate
CID 11412872
1-Methyl-1H-imidazole-2-sulfonyl chloride
CID 11658383
1,3-Dimethyl-1H-imidazol-3-ium trifluoromethanesulfonate
CID 14225695

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-ylethanesulfonyl chloride;hydrochloride?
The IUPAC name of 2-imidazol-1-ylethanesulfonyl chloride;hydrochloride (CID 122164201) is 2-imidazol-1-ylethanesulfonyl chloride;hydrochloride.
What is the SMILES notation for 2-imidazol-1-ylethanesulfonyl chloride;hydrochloride?
The canonical SMILES for 2-imidazol-1-ylethanesulfonyl chloride;hydrochloride is Cl.O=S(=O)(Cl)CCn1ccnc1.
What is the InChIKey of 2-imidazol-1-ylethanesulfonyl chloride;hydrochloride?
The InChIKey is LYKDUFWVFGBVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O2S.ClH/c6-11(9,10)4-3-8-2-1-7-5-8;/h1-2,5H,3-4H2;1H.
What are the key properties of 2-imidazol-1-ylethanesulfonyl chloride;hydrochloride?
2-imidazol-1-ylethanesulfonyl chloride;hydrochloride has a molecular weight of 231.10 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-ylethanesulfonyl chloride;hydrochloride is sourced from PubChem (CID 122164201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).