2-(3-chloropropylsulfonyl)-1-methylimidazole

C7H11ClN2O2S — CID 15040028

IUPAC2-(3-chloropropylsulfonyl)-1-methylimidazole
SMILESCn1ccnc1S(=O)(=O)CCCCl
InChIInChI=1S/C7H11ClN2O2S/c1-10-5-4-9-7(10)13(11,12)6-2-3-8/h4-5H,2-3,6H2,1H3
InChIKeyCHBHQZPJMATLAQ-UHFFFAOYSA-N
MW222.70 g/mol
LogP0.82
Rot. Bonds4

About 2-(3-chloropropylsulfonyl)-1-methylimidazole

2-(3-chloropropylsulfonyl)-1-methylimidazole (PubChem CID 15040028) has the molecular formula C7H11ClN2O2S and a molecular weight of 222.70 g/mol. Its IUPAC name is 2-(3-chloropropylsulfonyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(3-chloropropylsulfonyl)-1-methylimidazole
PubChem CID15040028
Molecular FormulaC7H11ClN2O2S
Molecular Weight222.70 g/mol
Exact Mass222.02
IUPAC Name2-(3-chloropropylsulfonyl)-1-methylimidazole
SMILESCn1ccnc1S(=O)(=O)CCCCl
InChIInChI=1S/C7H11ClN2O2S/c1-10-5-4-9-7(10)13(11,12)6-2-3-8/h4-5H,2-3,6H2,1H3
InChIKeyCHBHQZPJMATLAQ-UHFFFAOYSA-N
XLogP0.82
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-2-methylsulfonylimidazole
CID 333160
2-(Azetidine-3-sulfonyl)-1-methyl-1H-imidazole
CID 71777936
1-(2-Propylsulfonylethyl)imidazole
CID 75386552
1-Methyl-2-(3,4,4-trifluorobut-3-enylsulfonyl)imidazole
CID 20822746
1-(2-Methylsulfonylethyl)imidazole
CID 60703961
1-(2-Chloroallyl)-2-(methylsulfonyl)-1H-imidazole
CID 72112950
(1-Methyl-1H-imidazole-2-sulfonyl)acetonitrile
CID 5201440
1-methyl-1H-imidazol-2-yl propyl sulfide
CID 12332972
2-[(3-Chloropropyl)sulfanyl]-1-methyl-1H-imidazole
CID 15040027
1-Chloro-3-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylpropan-2-one
CID 15165871
6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine 8,8-dioxide
CID 18183098
1-(3-Ethylimidazol-3-ium-1-yl)ethanesulfonyl chloride chloride
CID 19358764

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropylsulfonyl)-1-methylimidazole?
The IUPAC name of 2-(3-chloropropylsulfonyl)-1-methylimidazole (CID 15040028) is 2-(3-chloropropylsulfonyl)-1-methylimidazole.
What is the SMILES notation for 2-(3-chloropropylsulfonyl)-1-methylimidazole?
The canonical SMILES for 2-(3-chloropropylsulfonyl)-1-methylimidazole is Cn1ccnc1S(=O)(=O)CCCCl.
What is the InChIKey of 2-(3-chloropropylsulfonyl)-1-methylimidazole?
The InChIKey is CHBHQZPJMATLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2S/c1-10-5-4-9-7(10)13(11,12)6-2-3-8/h4-5H,2-3,6H2,1H3.
What are the key properties of 2-(3-chloropropylsulfonyl)-1-methylimidazole?
2-(3-chloropropylsulfonyl)-1-methylimidazole has a molecular weight of 222.70 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropylsulfonyl)-1-methylimidazole is sourced from PubChem (CID 15040028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).