1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide

C14H19N3O3S — CID 107232092

IUPAC1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccc(CO)cc2)nc1C
InChIInChI=1S/C14H19N3O3S/c1-3-17-9-14(16-11(17)2)21(19,20)15-8-12-4-6-13(10-18)7-5-12/h4-7,9,15,18H,3,8,10H2,1-2H3
InChIKeyFEZFAUFFXONJLD-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.18
Rot. Bonds6

About 1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide

1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide (PubChem CID 107232092) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide
PubChem CID107232092
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccc(CO)cc2)nc1C
InChIInChI=1S/C14H19N3O3S/c1-3-17-9-14(16-11(17)2)21(19,20)15-8-12-4-6-13(10-18)7-5-12/h4-7,9,15,18H,3,8,10H2,1-2H3
InChIKeyFEZFAUFFXONJLD-UHFFFAOYSA-N
XLogP1.18
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide
CID 83030926
1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide
CID 62657789
1-ethyl-N-(2-ethyl-2-hydroxybutyl)-2-methylimidazole-4-sulfonamide
CID 65112739
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 107848291
3-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]propanethioamide
CID 62666905
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 122354460
N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62065157
1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide
CID 115875750
1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylimidazole-4-sulfonamide
CID 115875744
1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide
CID 65113290
N-(2-amino-3-hydroxybutyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 64539580
1-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-2-methylimidazole-4-sulfonamide
CID 104600270

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide (CID 107232092) is 1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCc2ccc(CO)cc2)nc1C.
What is the InChIKey of 1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide?
The InChIKey is FEZFAUFFXONJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-17-9-14(16-11(17)2)21(19,20)15-8-12-4-6-13(10-18)7-5-12/h4-7,9,15,18H,3,8,10H2,1-2H3.
What are the key properties of 1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide?
1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 107232092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).