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

C4H5ClN2O2S — CID 54251266

IUPAC5-methyl-1H-imidazole-2-sulfonyl chloride
SMILESCc1cnc(S(=O)(=O)Cl)[nH]1
InChIInChI=1S/C4H5ClN2O2S/c1-3-2-6-4(7-3)10(5,8)9/h2H,1H3,(H,6,7)
InChIKeyQWXOUBJZDKTCDV-UHFFFAOYSA-N
MW180.62 g/mol
LogP0.65
Rot. Bonds1

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

5-methyl-1H-imidazole-2-sulfonyl chloride (PubChem CID 54251266) has the molecular formula C4H5ClN2O2S and a molecular weight of 180.62 g/mol. Its IUPAC name is 5-methyl-1H-imidazole-2-sulfonyl chloride.

Molecular Properties

Compound Name5-methyl-1H-imidazole-2-sulfonyl chloride
PubChem CID54251266
Molecular FormulaC4H5ClN2O2S
Molecular Weight180.62 g/mol
Exact Mass179.98
IUPAC Name5-methyl-1H-imidazole-2-sulfonyl chloride
SMILESCc1cnc(S(=O)(=O)Cl)[nH]1
InChIInChI=1S/C4H5ClN2O2S/c1-3-2-6-4(7-3)10(5,8)9/h2H,1H3,(H,6,7)
InChIKeyQWXOUBJZDKTCDV-UHFFFAOYSA-N
XLogP0.65
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.62
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-imidazole-2-sulfonyl chloride?
The IUPAC name of 5-methyl-1H-imidazole-2-sulfonyl chloride (CID 54251266) is 5-methyl-1H-imidazole-2-sulfonyl chloride.
What is the SMILES notation for 5-methyl-1H-imidazole-2-sulfonyl chloride?
The canonical SMILES for 5-methyl-1H-imidazole-2-sulfonyl chloride is Cc1cnc(S(=O)(=O)Cl)[nH]1.
What is the InChIKey of 5-methyl-1H-imidazole-2-sulfonyl chloride?
The InChIKey is QWXOUBJZDKTCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O2S/c1-3-2-6-4(7-3)10(5,8)9/h2H,1H3,(H,6,7).
What are the key properties of 5-methyl-1H-imidazole-2-sulfonyl chloride?
5-methyl-1H-imidazole-2-sulfonyl chloride has a molecular weight of 180.62 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-imidazole-2-sulfonyl chloride is sourced from PubChem (CID 54251266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).