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

C11H19ClN2O4S2 — CID 65095924

IUPAC1-(3-ethylsulfonylpropyl)-2-propylimidazole-4-sulfonyl chloride
SMILESCCCc1nc(S(=O)(=O)Cl)cn1CCCS(=O)(=O)CC
InChIInChI=1S/C11H19ClN2O4S2/c1-3-6-10-13-11(20(12,17)18)9-14(10)7-5-8-19(15,16)4-2/h9H,3-8H2,1-2H3
InChIKeyFRVHDEMWRQXPNV-UHFFFAOYSA-N
MW342.87 g/mol
LogP1.59
Rot. Bonds8

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

1-(3-ethylsulfonylpropyl)-2-propylimidazole-4-sulfonyl chloride (PubChem CID 65095924) has the molecular formula C11H19ClN2O4S2 and a molecular weight of 342.87 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-2-propylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-2-propylimidazole-4-sulfonyl chloride
PubChem CID65095924
Molecular FormulaC11H19ClN2O4S2
Molecular Weight342.87 g/mol
Exact Mass342.05
IUPAC Name1-(3-ethylsulfonylpropyl)-2-propylimidazole-4-sulfonyl chloride
SMILESCCCc1nc(S(=O)(=O)Cl)cn1CCCS(=O)(=O)CC
InChIInChI=1S/C11H19ClN2O4S2/c1-3-6-10-13-11(20(12,17)18)9-14(10)7-5-8-19(15,16)4-2/h9H,3-8H2,1-2H3
InChIKeyFRVHDEMWRQXPNV-UHFFFAOYSA-N
XLogP1.59
TPSA86.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-2-propylimidazole-4-sulfonyl chloride?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-2-propylimidazole-4-sulfonyl chloride (CID 65095924) is 1-(3-ethylsulfonylpropyl)-2-propylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-2-propylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-2-propylimidazole-4-sulfonyl chloride is CCCc1nc(S(=O)(=O)Cl)cn1CCCS(=O)(=O)CC.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-2-propylimidazole-4-sulfonyl chloride?
The InChIKey is FRVHDEMWRQXPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O4S2/c1-3-6-10-13-11(20(12,17)18)9-14(10)7-5-8-19(15,16)4-2/h9H,3-8H2,1-2H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-2-propylimidazole-4-sulfonyl chloride?
1-(3-ethylsulfonylpropyl)-2-propylimidazole-4-sulfonyl chloride has a molecular weight of 342.87 g/mol, XLogP of 1.59, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-2-propylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 65095924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).