2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide

C9H17N3O4S2 — CID 114111971

IUPAC2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCCS(=O)(=O)CC)[nH]1
InChIInChI=1S/C9H17N3O4S2/c1-3-8-10-7-9(12-8)18(15,16)11-5-6-17(13,14)4-2/h7,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyYKVGCXSUSTWOEG-UHFFFAOYSA-N
MW295.39 g/mol
LogP-0.31
Rot. Bonds7

About 2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide

2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide (PubChem CID 114111971) has the molecular formula C9H17N3O4S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide
PubChem CID114111971
Molecular FormulaC9H17N3O4S2
Molecular Weight295.39 g/mol
Exact Mass295.07
IUPAC Name2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCCS(=O)(=O)CC)[nH]1
InChIInChI=1S/C9H17N3O4S2/c1-3-8-10-7-9(12-8)18(15,16)11-5-6-17(13,14)4-2/h7,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyYKVGCXSUSTWOEG-UHFFFAOYSA-N
XLogP-0.31
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114298250
2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate
CID 83204432
2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
CID 113430471
N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 115303585
2-ethyl-N-(2-prop-2-enoxyethyl)-1H-imidazole-5-sulfonamide
CID 114265073
3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 77021142
2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide
CID 64693083
N-(3-bromo-4-methoxybutyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 106245580
2-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1H-imidazole-5-sulfonamide
CID 106306704
N-(3-chloro-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 65036950
N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 106288635
N-[[4-(chloromethyl)phenyl]methyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 107234053

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide (CID 114111971) is 2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)NCCS(=O)(=O)CC)[nH]1.
What is the InChIKey of 2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide?
The InChIKey is YKVGCXSUSTWOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S2/c1-3-8-10-7-9(12-8)18(15,16)11-5-6-17(13,14)4-2/h7,11H,3-6H2,1-2H3,(H,10,12).
What are the key properties of 2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide?
2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide has a molecular weight of 295.39 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 114111971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).