1-(3-fluoropropyl)-2-propylimidazole-4-sulfonyl chloride

C9H14ClFN2O2S — CID 81114026

IUPAC1-(3-fluoropropyl)-2-propylimidazole-4-sulfonyl chloride
SMILESCCCc1nc(S(=O)(=O)Cl)cn1CCCF
InChIInChI=1S/C9H14ClFN2O2S/c1-2-4-8-12-9(16(10,14)15)7-13(8)6-3-5-11/h7H,2-6H2,1H3
InChIKeyGVIOOEDYVZUPPE-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.12
Rot. Bonds6

About 1-(3-fluoropropyl)-2-propylimidazole-4-sulfonyl chloride

1-(3-fluoropropyl)-2-propylimidazole-4-sulfonyl chloride (PubChem CID 81114026) has the molecular formula C9H14ClFN2O2S and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2-propylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2-propylimidazole-4-sulfonyl chloride
PubChem CID81114026
Molecular FormulaC9H14ClFN2O2S
Molecular Weight268.74 g/mol
Exact Mass268.04
IUPAC Name1-(3-fluoropropyl)-2-propylimidazole-4-sulfonyl chloride
SMILESCCCc1nc(S(=O)(=O)Cl)cn1CCCF
InChIInChI=1S/C9H14ClFN2O2S/c1-2-4-8-12-9(16(10,14)15)7-13(8)6-3-5-11/h7H,2-6H2,1H3
InChIKeyGVIOOEDYVZUPPE-UHFFFAOYSA-N
XLogP2.12
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluoropropyl)-2-propylimidazole-4-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-2-propylimidazole-4-sulfonyl chloride?
The IUPAC name of 1-(3-fluoropropyl)-2-propylimidazole-4-sulfonyl chloride (CID 81114026) is 1-(3-fluoropropyl)-2-propylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(3-fluoropropyl)-2-propylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-(3-fluoropropyl)-2-propylimidazole-4-sulfonyl chloride is CCCc1nc(S(=O)(=O)Cl)cn1CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-2-propylimidazole-4-sulfonyl chloride?
The InChIKey is GVIOOEDYVZUPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClFN2O2S/c1-2-4-8-12-9(16(10,14)15)7-13(8)6-3-5-11/h7H,2-6H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-2-propylimidazole-4-sulfonyl chloride?
1-(3-fluoropropyl)-2-propylimidazole-4-sulfonyl chloride has a molecular weight of 268.74 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-2-propylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 81114026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).