2-ethyl-1-(3-imidazol-1-ylpropyl)imidazole-4-sulfonyl chloride

C11H15ClN4O2S — CID 82912941

IUPAC2-ethyl-1-(3-imidazol-1-ylpropyl)imidazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)cn1CCCn1ccnc1
InChIInChI=1S/C11H15ClN4O2S/c1-2-10-14-11(19(12,17)18)8-16(10)6-3-5-15-7-4-13-9-15/h4,7-9H,2-3,5-6H2,1H3
InChIKeyIIVMSQCVRXHCMS-UHFFFAOYSA-N
MW302.79 g/mol
LogP1.66
Rot. Bonds6

About 2-ethyl-1-(3-imidazol-1-ylpropyl)imidazole-4-sulfonyl chloride

2-ethyl-1-(3-imidazol-1-ylpropyl)imidazole-4-sulfonyl chloride (PubChem CID 82912941) has the molecular formula C11H15ClN4O2S and a molecular weight of 302.79 g/mol. Its IUPAC name is 2-ethyl-1-(3-imidazol-1-ylpropyl)imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-1-(3-imidazol-1-ylpropyl)imidazole-4-sulfonyl chloride
PubChem CID82912941
Molecular FormulaC11H15ClN4O2S
Molecular Weight302.79 g/mol
Exact Mass302.06
IUPAC Name2-ethyl-1-(3-imidazol-1-ylpropyl)imidazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)cn1CCCn1ccnc1
InChIInChI=1S/C11H15ClN4O2S/c1-2-10-14-11(19(12,17)18)8-16(10)6-3-5-15-7-4-13-9-15/h4,7-9H,2-3,5-6H2,1H3
InChIKeyIIVMSQCVRXHCMS-UHFFFAOYSA-N
XLogP1.66
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-ethylsulfonylpropyl)-2-propylimidazole-4-sulfonyl chloride
CID 65095924
1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one
CID 116624386
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-ethylimidazole-4-sulfonyl chloride
CID 82913605
N-(3-imidazol-1-ylpropyl)ethanesulfonamide
CID 19685069
1-(2,2-difluoro-2-phenylethyl)-2-ethylimidazole-4-sulfonyl chloride
CID 116790221
2-chloro-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43456215
1-(3-chloropropyl)imidazole;hydrochloride
CID 75539477
bis(1-propylimidazole);sulfuric acid
CID 86038795
2-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]propan-2-amine
CID 114702568
sodium;1-butylimidazole;bromide
CID 175480877
4-(3-imidazol-1-ylpropoxy)-3-methylbenzenesulfonyl chloride
CID 82917400
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-imidazol-1-ylpropyl)imidazole-4-sulfonyl chloride?
The IUPAC name of 2-ethyl-1-(3-imidazol-1-ylpropyl)imidazole-4-sulfonyl chloride (CID 82912941) is 2-ethyl-1-(3-imidazol-1-ylpropyl)imidazole-4-sulfonyl chloride.
What is the SMILES notation for 2-ethyl-1-(3-imidazol-1-ylpropyl)imidazole-4-sulfonyl chloride?
The canonical SMILES for 2-ethyl-1-(3-imidazol-1-ylpropyl)imidazole-4-sulfonyl chloride is CCc1nc(S(=O)(=O)Cl)cn1CCCn1ccnc1.
What is the InChIKey of 2-ethyl-1-(3-imidazol-1-ylpropyl)imidazole-4-sulfonyl chloride?
The InChIKey is IIVMSQCVRXHCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2S/c1-2-10-14-11(19(12,17)18)8-16(10)6-3-5-15-7-4-13-9-15/h4,7-9H,2-3,5-6H2,1H3.
What are the key properties of 2-ethyl-1-(3-imidazol-1-ylpropyl)imidazole-4-sulfonyl chloride?
2-ethyl-1-(3-imidazol-1-ylpropyl)imidazole-4-sulfonyl chloride has a molecular weight of 302.79 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-imidazol-1-ylpropyl)imidazole-4-sulfonyl chloride is sourced from PubChem (CID 82912941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).