2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide

C14H19N3O2S — CID 64693083

IUPAC2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCc2ccccc2CC)[nH]1
InChIInChI=1S/C14H19N3O2S/c1-3-11-7-5-6-8-12(11)9-16-20(18,19)14-10-15-13(4-2)17-14/h5-8,10,16H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyWZIUXAWDKQYTEW-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.01
Rot. Bonds6

About 2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide

2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide (PubChem CID 64693083) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide
PubChem CID64693083
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCc2ccccc2CC)[nH]1
InChIInChI=1S/C14H19N3O2S/c1-3-11-7-5-6-8-12(11)9-16-20(18,19)14-10-15-13(4-2)17-14/h5-8,10,16H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyWZIUXAWDKQYTEW-UHFFFAOYSA-N
XLogP2.01
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(chloromethyl)phenyl]methyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 107234053
2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide
CID 107232013
2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide
CID 114111971
N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114298250
N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 115303585
N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 106288635
N-(3-chloro-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 65036950
N-(2-chloro-1-phenylethyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 65030918
2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 65042707
N-(2-cyclopropylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 113476004
N-[(3-aminocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 66005194
2-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide
CID 65098522

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide (CID 64693083) is 2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)NCc2ccccc2CC)[nH]1.
What is the InChIKey of 2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide?
The InChIKey is WZIUXAWDKQYTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-11-7-5-6-8-12(11)9-16-20(18,19)14-10-15-13(4-2)17-14/h5-8,10,16H,3-4,9H2,1-2H3,(H,15,17).
What are the key properties of 2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide?
2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 64693083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).