2-ethyl-1-[(2-methoxyphenyl)methyl]imidazole-4-sulfonamide

C13H17N3O3S — CID 81342661

IUPAC2-ethyl-1-[(2-methoxyphenyl)methyl]imidazole-4-sulfonamide
SMILESCCc1nc(S(N)(=O)=O)cn1Cc1ccccc1OC
InChIInChI=1S/C13H17N3O3S/c1-3-12-15-13(20(14,17)18)9-16(12)8-10-6-4-5-7-11(10)19-2/h4-7,9H,3,8H2,1-2H3,(H2,14,17,18)
InChIKeyLIOUOJKNBHQXCK-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.15
Rot. Bonds5

About 2-ethyl-1-[(2-methoxyphenyl)methyl]imidazole-4-sulfonamide

2-ethyl-1-[(2-methoxyphenyl)methyl]imidazole-4-sulfonamide (PubChem CID 81342661) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-ethyl-1-[(2-methoxyphenyl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name2-ethyl-1-[(2-methoxyphenyl)methyl]imidazole-4-sulfonamide
PubChem CID81342661
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-ethyl-1-[(2-methoxyphenyl)methyl]imidazole-4-sulfonamide
SMILESCCc1nc(S(N)(=O)=O)cn1Cc1ccccc1OC
InChIInChI=1S/C13H17N3O3S/c1-3-12-15-13(20(14,17)18)9-16(12)8-10-6-4-5-7-11(10)19-2/h4-7,9H,3,8H2,1-2H3,(H2,14,17,18)
InChIKeyLIOUOJKNBHQXCK-UHFFFAOYSA-N
XLogP1.15
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-2-ethylimidazole-4-sulfonamide
CID 82935239
1-(2-butoxyethyl)-2-ethylimidazole-4-sulfonamide
CID 81342657
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-ethylimidazole-4-sulfonamide
CID 81337357
1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 21041220
[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride
CID 162423000
3-[(2-methoxyphenyl)methyl]-5-phenyl-1H-imidazole-2-thione
CID 24964672
2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 114703081
1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 81336915
5-chloro-2-[(2-methoxyphenyl)methyl]-7-methylsulfonylpyrazolo[4,3-d]pyrimidine
CID 168839093
3-ethyl-5-methoxyimidazo[1,5-a]pyridine-1-sulfonamide
CID 112552261
ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole
CID 144668203
3-chloro-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole
CID 63383373

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(2-methoxyphenyl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 2-ethyl-1-[(2-methoxyphenyl)methyl]imidazole-4-sulfonamide (CID 81342661) is 2-ethyl-1-[(2-methoxyphenyl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 2-ethyl-1-[(2-methoxyphenyl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 2-ethyl-1-[(2-methoxyphenyl)methyl]imidazole-4-sulfonamide is CCc1nc(S(N)(=O)=O)cn1Cc1ccccc1OC.
What is the InChIKey of 2-ethyl-1-[(2-methoxyphenyl)methyl]imidazole-4-sulfonamide?
The InChIKey is LIOUOJKNBHQXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-12-15-13(20(14,17)18)9-16(12)8-10-6-4-5-7-11(10)19-2/h4-7,9H,3,8H2,1-2H3,(H2,14,17,18).
What are the key properties of 2-ethyl-1-[(2-methoxyphenyl)methyl]imidazole-4-sulfonamide?
2-ethyl-1-[(2-methoxyphenyl)methyl]imidazole-4-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(2-methoxyphenyl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 81342661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).