2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide

C13H17N3O3S — CID 107232013

IUPAC2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCc2ccc(CO)cc2)[nH]1
InChIInChI=1S/C13H17N3O3S/c1-2-12-14-8-13(16-12)20(18,19)15-7-10-3-5-11(9-17)6-4-10/h3-6,8,15,17H,2,7,9H2,1H3,(H,14,16)
InChIKeyZIOKJOCQVHZFLC-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.94
Rot. Bonds6

About 2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide

2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide (PubChem CID 107232013) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide
PubChem CID107232013
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCc2ccc(CO)cc2)[nH]1
InChIInChI=1S/C13H17N3O3S/c1-2-12-14-8-13(16-12)20(18,19)15-7-10-3-5-11(9-17)6-4-10/h3-6,8,15,17H,2,7,9H2,1H3,(H,14,16)
InChIKeyZIOKJOCQVHZFLC-UHFFFAOYSA-N
XLogP0.94
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(chloromethyl)phenyl]methyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 107234053
2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide
CID 64693083
2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide
CID 114111971
N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114298250
N-[(3-aminocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 66005194
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
2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-imidazole-5-sulfonamide
CID 79246204
N-[(3-chlorocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 66004609
2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate
CID 83204432
(2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80749768

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide (CID 107232013) is 2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)NCc2ccc(CO)cc2)[nH]1.
What is the InChIKey of 2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide?
The InChIKey is ZIOKJOCQVHZFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-2-12-14-8-13(16-12)20(18,19)15-7-10-3-5-11(9-17)6-4-10/h3-6,8,15,17H,2,7,9H2,1H3,(H,14,16).
What are the key properties of 2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide?
2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 107232013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).