1-(2-methylprop-2-enyl)-2-propylimidazole-4-sulfonyl chloride

C10H15ClN2O2S — CID 82911662

IUPAC1-(2-methylprop-2-enyl)-2-propylimidazole-4-sulfonyl chloride
SMILESC=C(C)Cn1cc(S(=O)(=O)Cl)nc1CCC
InChIInChI=1S/C10H15ClN2O2S/c1-4-5-9-12-10(16(11,14)15)7-13(9)6-8(2)3/h7H,2,4-6H2,1,3H3
InChIKeySXEVQIBEYLIOCF-UHFFFAOYSA-N
MW262.76 g/mol
LogP2.34
Rot. Bonds5

About 1-(2-methylprop-2-enyl)-2-propylimidazole-4-sulfonyl chloride

1-(2-methylprop-2-enyl)-2-propylimidazole-4-sulfonyl chloride (PubChem CID 82911662) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-2-propylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-2-propylimidazole-4-sulfonyl chloride
PubChem CID82911662
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name1-(2-methylprop-2-enyl)-2-propylimidazole-4-sulfonyl chloride
SMILESC=C(C)Cn1cc(S(=O)(=O)Cl)nc1CCC
InChIInChI=1S/C10H15ClN2O2S/c1-4-5-9-12-10(16(11,14)15)7-13(9)6-8(2)3/h7H,2,4-6H2,1,3H3
InChIKeySXEVQIBEYLIOCF-UHFFFAOYSA-N
XLogP2.34
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-2-propylimidazole-4-sulfonyl chloride?
The IUPAC name of 1-(2-methylprop-2-enyl)-2-propylimidazole-4-sulfonyl chloride (CID 82911662) is 1-(2-methylprop-2-enyl)-2-propylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-2-propylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-(2-methylprop-2-enyl)-2-propylimidazole-4-sulfonyl chloride is C=C(C)Cn1cc(S(=O)(=O)Cl)nc1CCC.
What is the InChIKey of 1-(2-methylprop-2-enyl)-2-propylimidazole-4-sulfonyl chloride?
The InChIKey is SXEVQIBEYLIOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-4-5-9-12-10(16(11,14)15)7-13(9)6-8(2)3/h7H,2,4-6H2,1,3H3.
What are the key properties of 1-(2-methylprop-2-enyl)-2-propylimidazole-4-sulfonyl chloride?
1-(2-methylprop-2-enyl)-2-propylimidazole-4-sulfonyl chloride has a molecular weight of 262.76 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-2-propylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 82911662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).