3-propylimidazole-4-sulfonyl chloride

C6H9ClN2O2S — CID 15100268

IUPAC3-propylimidazole-4-sulfonyl chloride
SMILESCCCn1cncc1S(=O)(=O)Cl
InChIInChI=1S/C6H9ClN2O2S/c1-2-3-9-5-8-4-6(9)12(7,10)11/h4-5H,2-3H2,1H3
InChIKeyLMMCTTSNZRCSLG-UHFFFAOYSA-N
MW208.67 g/mol
LogP1.22
Rot. Bonds3

About 3-propylimidazole-4-sulfonyl chloride

3-propylimidazole-4-sulfonyl chloride (PubChem CID 15100268) has the molecular formula C6H9ClN2O2S and a molecular weight of 208.67 g/mol. Its IUPAC name is 3-propylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-propylimidazole-4-sulfonyl chloride
PubChem CID15100268
Molecular FormulaC6H9ClN2O2S
Molecular Weight208.67 g/mol
Exact Mass208.01
IUPAC Name3-propylimidazole-4-sulfonyl chloride
SMILESCCCn1cncc1S(=O)(=O)Cl
InChIInChI=1S/C6H9ClN2O2S/c1-2-3-9-5-8-4-6(9)12(7,10)11/h4-5H,2-3H2,1H3
InChIKeyLMMCTTSNZRCSLG-UHFFFAOYSA-N
XLogP1.22
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.67
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propylimidazole-4-sulfonyl chloride?
The IUPAC name of 3-propylimidazole-4-sulfonyl chloride (CID 15100268) is 3-propylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 3-propylimidazole-4-sulfonyl chloride?
The canonical SMILES for 3-propylimidazole-4-sulfonyl chloride is CCCn1cncc1S(=O)(=O)Cl.
What is the InChIKey of 3-propylimidazole-4-sulfonyl chloride?
The InChIKey is LMMCTTSNZRCSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O2S/c1-2-3-9-5-8-4-6(9)12(7,10)11/h4-5H,2-3H2,1H3.
What are the key properties of 3-propylimidazole-4-sulfonyl chloride?
3-propylimidazole-4-sulfonyl chloride has a molecular weight of 208.67 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 15100268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).