2-acetamido-5-methyl-1H-imidazole-4-sulfonyl chloride

C6H8ClN3O3S — CID 58712624

IUPAC2-acetamido-5-methyl-1H-imidazole-4-sulfonyl chloride
SMILESCC(=O)Nc1nc(S(=O)(=O)Cl)c(C)[nH]1
InChIInChI=1S/C6H8ClN3O3S/c1-3-5(14(7,12)13)10-6(8-3)9-4(2)11/h1-2H3,(H2,8,9,10,11)
InChIKeyZRMGUGTYVQWNGS-UHFFFAOYSA-N
MW237.67 g/mol
LogP0.60
Rot. Bonds2

About 2-acetamido-5-methyl-1H-imidazole-4-sulfonyl chloride

2-acetamido-5-methyl-1H-imidazole-4-sulfonyl chloride (PubChem CID 58712624) has the molecular formula C6H8ClN3O3S and a molecular weight of 237.67 g/mol. Its IUPAC name is 2-acetamido-5-methyl-1H-imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-acetamido-5-methyl-1H-imidazole-4-sulfonyl chloride
PubChem CID58712624
Molecular FormulaC6H8ClN3O3S
Molecular Weight237.67 g/mol
Exact Mass237.00
IUPAC Name2-acetamido-5-methyl-1H-imidazole-4-sulfonyl chloride
SMILESCC(=O)Nc1nc(S(=O)(=O)Cl)c(C)[nH]1
InChIInChI=1S/C6H8ClN3O3S/c1-3-5(14(7,12)13)10-6(8-3)9-4(2)11/h1-2H3,(H2,8,9,10,11)
InChIKeyZRMGUGTYVQWNGS-UHFFFAOYSA-N
XLogP0.60
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.67
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-methyl-1H-imidazole-4-sulfonyl chloride?
The IUPAC name of 2-acetamido-5-methyl-1H-imidazole-4-sulfonyl chloride (CID 58712624) is 2-acetamido-5-methyl-1H-imidazole-4-sulfonyl chloride.
What is the SMILES notation for 2-acetamido-5-methyl-1H-imidazole-4-sulfonyl chloride?
The canonical SMILES for 2-acetamido-5-methyl-1H-imidazole-4-sulfonyl chloride is CC(=O)Nc1nc(S(=O)(=O)Cl)c(C)[nH]1.
What is the InChIKey of 2-acetamido-5-methyl-1H-imidazole-4-sulfonyl chloride?
The InChIKey is ZRMGUGTYVQWNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O3S/c1-3-5(14(7,12)13)10-6(8-3)9-4(2)11/h1-2H3,(H2,8,9,10,11).
What are the key properties of 2-acetamido-5-methyl-1H-imidazole-4-sulfonyl chloride?
2-acetamido-5-methyl-1H-imidazole-4-sulfonyl chloride has a molecular weight of 237.67 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-methyl-1H-imidazole-4-sulfonyl chloride is sourced from PubChem (CID 58712624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).