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

C4H5ClN2O2S — CID 10583549

IUPAC2-methyl-1H-imidazole-5-sulfonyl chloride
SMILESCc1ncc(S(=O)(=O)Cl)[nH]1
InChIInChI=1S/C4H5ClN2O2S/c1-3-6-2-4(7-3)10(5,8)9/h2H,1H3,(H,6,7)
InChIKeyQZSIDBSNCFPOCI-UHFFFAOYSA-N
MW180.62 g/mol
LogP0.65
Rot. Bonds1

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

2-methyl-1H-imidazole-5-sulfonyl chloride (PubChem CID 10583549) has the molecular formula C4H5ClN2O2S and a molecular weight of 180.62 g/mol. Its IUPAC name is 2-methyl-1H-imidazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-1H-imidazole-5-sulfonyl chloride
PubChem CID10583549
Molecular FormulaC4H5ClN2O2S
Molecular Weight180.62 g/mol
Exact Mass179.98
IUPAC Name2-methyl-1H-imidazole-5-sulfonyl chloride
SMILESCc1ncc(S(=O)(=O)Cl)[nH]1
InChIInChI=1S/C4H5ClN2O2S/c1-3-6-2-4(7-3)10(5,8)9/h2H,1H3,(H,6,7)
InChIKeyQZSIDBSNCFPOCI-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 2-methyl-1H-imidazole-5-sulfonyl chloride?
The IUPAC name of 2-methyl-1H-imidazole-5-sulfonyl chloride (CID 10583549) is 2-methyl-1H-imidazole-5-sulfonyl chloride.
What is the SMILES notation for 2-methyl-1H-imidazole-5-sulfonyl chloride?
The canonical SMILES for 2-methyl-1H-imidazole-5-sulfonyl chloride is Cc1ncc(S(=O)(=O)Cl)[nH]1.
What is the InChIKey of 2-methyl-1H-imidazole-5-sulfonyl chloride?
The InChIKey is QZSIDBSNCFPOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O2S/c1-3-6-2-4(7-3)10(5,8)9/h2H,1H3,(H,6,7).
What are the key properties of 2-methyl-1H-imidazole-5-sulfonyl chloride?
2-methyl-1H-imidazole-5-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 2-methyl-1H-imidazole-5-sulfonyl chloride is sourced from PubChem (CID 10583549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).