2-methyl-1-(2-pyridin-3-ylethyl)imidazole-4-sulfonyl chloride

C11H12ClN3O2S — CID 82913595

IUPAC2-methyl-1-(2-pyridin-3-ylethyl)imidazole-4-sulfonyl chloride
SMILESCc1nc(S(=O)(=O)Cl)cn1CCc1cccnc1
InChIInChI=1S/C11H12ClN3O2S/c1-9-14-11(18(12,16)17)8-15(9)6-4-10-3-2-5-13-7-10/h2-3,5,7-8H,4,6H2,1H3
InChIKeyRZAAIHDZAKUARJ-UHFFFAOYSA-N
MW285.76 g/mol
LogP1.76
Rot. Bonds4

About 2-methyl-1-(2-pyridin-3-ylethyl)imidazole-4-sulfonyl chloride

2-methyl-1-(2-pyridin-3-ylethyl)imidazole-4-sulfonyl chloride (PubChem CID 82913595) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 2-methyl-1-(2-pyridin-3-ylethyl)imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-1-(2-pyridin-3-ylethyl)imidazole-4-sulfonyl chloride
PubChem CID82913595
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name2-methyl-1-(2-pyridin-3-ylethyl)imidazole-4-sulfonyl chloride
SMILESCc1nc(S(=O)(=O)Cl)cn1CCc1cccnc1
InChIInChI=1S/C11H12ClN3O2S/c1-9-14-11(18(12,16)17)8-15(9)6-4-10-3-2-5-13-7-10/h2-3,5,7-8H,4,6H2,1H3
InChIKeyRZAAIHDZAKUARJ-UHFFFAOYSA-N
XLogP1.76
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-pyridin-3-ylethyl)imidazole-4-sulfonyl chloride?
The IUPAC name of 2-methyl-1-(2-pyridin-3-ylethyl)imidazole-4-sulfonyl chloride (CID 82913595) is 2-methyl-1-(2-pyridin-3-ylethyl)imidazole-4-sulfonyl chloride.
What is the SMILES notation for 2-methyl-1-(2-pyridin-3-ylethyl)imidazole-4-sulfonyl chloride?
The canonical SMILES for 2-methyl-1-(2-pyridin-3-ylethyl)imidazole-4-sulfonyl chloride is Cc1nc(S(=O)(=O)Cl)cn1CCc1cccnc1.
What is the InChIKey of 2-methyl-1-(2-pyridin-3-ylethyl)imidazole-4-sulfonyl chloride?
The InChIKey is RZAAIHDZAKUARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c1-9-14-11(18(12,16)17)8-15(9)6-4-10-3-2-5-13-7-10/h2-3,5,7-8H,4,6H2,1H3.
What are the key properties of 2-methyl-1-(2-pyridin-3-ylethyl)imidazole-4-sulfonyl chloride?
2-methyl-1-(2-pyridin-3-ylethyl)imidazole-4-sulfonyl chloride has a molecular weight of 285.76 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-pyridin-3-ylethyl)imidazole-4-sulfonyl chloride is sourced from PubChem (CID 82913595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).