5-chloro-N-[2-(ethylsulfamoyl)ethyl]-1-methylimidazole-4-sulfonamide

C8H15ClN4O4S2 — CID 113233818

IUPAC5-chloro-N-[2-(ethylsulfamoyl)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCCNS(=O)(=O)CCNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C8H15ClN4O4S2/c1-3-11-18(14,15)5-4-12-19(16,17)8-7(9)13(2)6-10-8/h6,11-12H,3-5H2,1-2H3
InChIKeyAHJRUURLVMISOW-UHFFFAOYSA-N
MW330.82 g/mol
LogP-0.71
Rot. Bonds7

About 5-chloro-N-[2-(ethylsulfamoyl)ethyl]-1-methylimidazole-4-sulfonamide

5-chloro-N-[2-(ethylsulfamoyl)ethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 113233818) has the molecular formula C8H15ClN4O4S2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 5-chloro-N-[2-(ethylsulfamoyl)ethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(ethylsulfamoyl)ethyl]-1-methylimidazole-4-sulfonamide
PubChem CID113233818
Molecular FormulaC8H15ClN4O4S2
Molecular Weight330.82 g/mol
Exact Mass330.02
IUPAC Name5-chloro-N-[2-(ethylsulfamoyl)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCCNS(=O)(=O)CCNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C8H15ClN4O4S2/c1-3-11-18(14,15)5-4-12-19(16,17)8-7(9)13(2)6-10-8/h6,11-12H,3-5H2,1-2H3
InChIKeyAHJRUURLVMISOW-UHFFFAOYSA-N
XLogP-0.71
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61247762
N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61250573
5-chloro-1-methyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide
CID 63965435
methyl 3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]propanoate
CID 60745024
5-chloro-1-methyl-N-(4,4,4-trifluorobutyl)imidazole-4-sulfonamide
CID 79040358
5-chloro-N-(4-hydroxypentyl)-1-methylimidazole-4-sulfonamide
CID 107271238
5-chloro-N-(2-hydroxy-2-methylbutyl)-1-methylimidazole-4-sulfonamide
CID 65107131
5-chloro-N-(5-hydroxy-4-methylpentyl)-1-methylimidazole-4-sulfonamide
CID 103858809
5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-methylimidazole-4-sulfonamide
CID 103834891
5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide
CID 102697795
5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide
CID 65035723
5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-1-methylimidazole-4-sulfonamide
CID 113233532

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(ethylsulfamoyl)ethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(ethylsulfamoyl)ethyl]-1-methylimidazole-4-sulfonamide (CID 113233818) is 5-chloro-N-[2-(ethylsulfamoyl)ethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(ethylsulfamoyl)ethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(ethylsulfamoyl)ethyl]-1-methylimidazole-4-sulfonamide is CCNS(=O)(=O)CCNS(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N-[2-(ethylsulfamoyl)ethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is AHJRUURLVMISOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN4O4S2/c1-3-11-18(14,15)5-4-12-19(16,17)8-7(9)13(2)6-10-8/h6,11-12H,3-5H2,1-2H3.
What are the key properties of 5-chloro-N-[2-(ethylsulfamoyl)ethyl]-1-methylimidazole-4-sulfonamide?
5-chloro-N-[2-(ethylsulfamoyl)ethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 330.82 g/mol, XLogP of -0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(ethylsulfamoyl)ethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 113233818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).