N-[1-(2-hydroxyphenyl)ethyl]-N,1,2-trimethylimidazole-4-sulfonamide

C14H19N3O3S — CID 62061772

IUPACN-[1-(2-hydroxyphenyl)ethyl]-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)C(C)c2ccccc2O)cn1C
InChIInChI=1S/C14H19N3O3S/c1-10(12-7-5-6-8-13(12)18)17(4)21(19,20)14-9-16(3)11(2)15-14/h5-10,18H,1-4H3
InChIKeyVJODHKBWJQXSCN-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.82
Rot. Bonds4

About N-[1-(2-hydroxyphenyl)ethyl]-N,1,2-trimethylimidazole-4-sulfonamide

N-[1-(2-hydroxyphenyl)ethyl]-N,1,2-trimethylimidazole-4-sulfonamide (PubChem CID 62061772) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)ethyl]-N,1,2-trimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)ethyl]-N,1,2-trimethylimidazole-4-sulfonamide
PubChem CID62061772
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[1-(2-hydroxyphenyl)ethyl]-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)C(C)c2ccccc2O)cn1C
InChIInChI=1S/C14H19N3O3S/c1-10(12-7-5-6-8-13(12)18)17(4)21(19,20)14-9-16(3)11(2)15-14/h5-10,18H,1-4H3
InChIKeyVJODHKBWJQXSCN-UHFFFAOYSA-N
XLogP1.82
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-hydroxyphenyl)ethyl-methylsulfamoyl]propanoic acid
CID 61457886
N-(2-chloropropyl)-N,1,2-trimethylimidazole-4-sulfonamide
CID 63397074
N-[2-(1-chloroethyl)phenyl]-1,2-dimethylimidazole-4-sulfonamide
CID 65031566
2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 62818002
2-[carboxymethyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid
CID 63646589
N-[1-(2-hydroxyphenyl)ethyl]-N-methylazepane-1-sulfonamide
CID 61043938
3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide
CID 61457823
N-(4-cyanophenyl)-N,1,2-trimethylimidazole-4-sulfonamide
CID 62981552
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-methylsulfonylethanesulfonamide
CID 63242780
N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide
CID 63857517
2-[(1R)-1-[methyl(propan-2-yl)amino]ethyl]phenol
CID 101104323
methyl 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]acetate
CID 55030482

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N,1,2-trimethylimidazole-4-sulfonamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N,1,2-trimethylimidazole-4-sulfonamide (CID 62061772) is N-[1-(2-hydroxyphenyl)ethyl]-N,1,2-trimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)ethyl]-N,1,2-trimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)ethyl]-N,1,2-trimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)N(C)C(C)c2ccccc2O)cn1C.
What is the InChIKey of N-[1-(2-hydroxyphenyl)ethyl]-N,1,2-trimethylimidazole-4-sulfonamide?
The InChIKey is VJODHKBWJQXSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10(12-7-5-6-8-13(12)18)17(4)21(19,20)14-9-16(3)11(2)15-14/h5-10,18H,1-4H3.
What are the key properties of N-[1-(2-hydroxyphenyl)ethyl]-N,1,2-trimethylimidazole-4-sulfonamide?
N-[1-(2-hydroxyphenyl)ethyl]-N,1,2-trimethylimidazole-4-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)ethyl]-N,1,2-trimethylimidazole-4-sulfonamide is sourced from PubChem (CID 62061772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).