1-ethyl-N-(2-hydroxy-2-phenylethyl)imidazole-4-sulfonamide

C13H17N3O3S — CID 79373825

IUPAC1-ethyl-N-(2-hydroxy-2-phenylethyl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NCC(O)c2ccccc2)c1
InChIInChI=1S/C13H17N3O3S/c1-2-16-9-13(14-10-16)20(18,19)15-8-12(17)11-6-4-3-5-7-11/h3-7,9-10,12,15,17H,2,8H2,1H3
InChIKeyRTBNRSVJPPVODV-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.91
Rot. Bonds6

About 1-ethyl-N-(2-hydroxy-2-phenylethyl)imidazole-4-sulfonamide

1-ethyl-N-(2-hydroxy-2-phenylethyl)imidazole-4-sulfonamide (PubChem CID 79373825) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-ethyl-N-(2-hydroxy-2-phenylethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(2-hydroxy-2-phenylethyl)imidazole-4-sulfonamide
PubChem CID79373825
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name1-ethyl-N-(2-hydroxy-2-phenylethyl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NCC(O)c2ccccc2)c1
InChIInChI=1S/C13H17N3O3S/c1-2-16-9-13(14-10-16)20(18,19)15-8-12(17)11-6-4-3-5-7-11/h3-7,9-10,12,15,17H,2,8H2,1H3
InChIKeyRTBNRSVJPPVODV-UHFFFAOYSA-N
XLogP0.91
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-(2-hydroxy-2-phenylethyl)imidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid
CID 81066185
1-ethyl-N-phenacylimidazole-4-sulfonamide
CID 79373290
3-[(1-ethylimidazol-4-yl)sulfonylamino]propanoic acid
CID 79373798
N-(2-bromo-3-methoxypropyl)-1-ethylimidazole-4-sulfonamide
CID 114296266
N-[(2-aminophenyl)methyl]-1-ethylimidazole-4-sulfonamide
CID 79372923
N-(2-bromo-2-cyclopropylethyl)-1-ethylimidazole-4-sulfonamide
CID 114294574
2-[[2-[(1-ethylimidazol-4-yl)sulfonylamino]acetyl]amino]acetic acid
CID 79373274
1-ethyl-N-(3-hydroxy-4-methoxybutyl)imidazole-4-sulfonamide
CID 113343424
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylimidazole-4-sulfonamide
CID 97415042
N-(3-chlorobutyl)-1-ethylimidazole-4-sulfonamide
CID 79373407
2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 79373105
N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide
CID 3731751

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-hydroxy-2-phenylethyl)imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(2-hydroxy-2-phenylethyl)imidazole-4-sulfonamide (CID 79373825) is 1-ethyl-N-(2-hydroxy-2-phenylethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(2-hydroxy-2-phenylethyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(2-hydroxy-2-phenylethyl)imidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)NCC(O)c2ccccc2)c1.
What is the InChIKey of 1-ethyl-N-(2-hydroxy-2-phenylethyl)imidazole-4-sulfonamide?
The InChIKey is RTBNRSVJPPVODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-2-16-9-13(14-10-16)20(18,19)15-8-12(17)11-6-4-3-5-7-11/h3-7,9-10,12,15,17H,2,8H2,1H3.
What are the key properties of 1-ethyl-N-(2-hydroxy-2-phenylethyl)imidazole-4-sulfonamide?
1-ethyl-N-(2-hydroxy-2-phenylethyl)imidazole-4-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-hydroxy-2-phenylethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 79373825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).