N-(2-hydroxy-4-methoxyphenyl)-1H-imidazole-5-sulfonamide

C10H11N3O4S — CID 102695858

IUPACN-(2-hydroxy-4-methoxyphenyl)-1H-imidazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cnc[nH]2)c(O)c1
InChIInChI=1S/C10H11N3O4S/c1-17-7-2-3-8(9(14)4-7)13-18(15,16)10-5-11-6-12-10/h2-6,13-14H,1H3,(H,11,12)
InChIKeyXYENDQKNDOXEMZ-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.92
Rot. Bonds4

About N-(2-hydroxy-4-methoxyphenyl)-1H-imidazole-5-sulfonamide

N-(2-hydroxy-4-methoxyphenyl)-1H-imidazole-5-sulfonamide (PubChem CID 102695858) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxyphenyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxyphenyl)-1H-imidazole-5-sulfonamide
PubChem CID102695858
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC NameN-(2-hydroxy-4-methoxyphenyl)-1H-imidazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cnc[nH]2)c(O)c1
InChIInChI=1S/C10H11N3O4S/c1-17-7-2-3-8(9(14)4-7)13-18(15,16)10-5-11-6-12-10/h2-6,13-14H,1H3,(H,11,12)
InChIKeyXYENDQKNDOXEMZ-UHFFFAOYSA-N
XLogP0.92
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide
CID 104847766
3,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide
CID 102695953
N-(2,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
CID 20856435
N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 3658049
methyl 4-[(2-hydroxy-4-methoxyphenyl)sulfamoyl]butanoate
CID 102695904
N-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692966
4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid
CID 7720378
N-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide
CID 114296143
N'-hydroxy-2-[2-(1H-imidazol-5-ylsulfonylamino)phenoxy]ethanimidamide
CID 77021280
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1H-imidazole-5-sulfonamide
CID 122311390
3-fluoro-2-(1H-imidazol-5-ylsulfonylamino)-6-methylbenzoic acid
CID 167768639
N-(3-amino-4-bromophenyl)-1H-imidazole-5-sulfonamide
CID 79768373

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methoxyphenyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2-hydroxy-4-methoxyphenyl)-1H-imidazole-5-sulfonamide (CID 102695858) is N-(2-hydroxy-4-methoxyphenyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxyphenyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2-hydroxy-4-methoxyphenyl)-1H-imidazole-5-sulfonamide is COc1ccc(NS(=O)(=O)c2cnc[nH]2)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methoxyphenyl)-1H-imidazole-5-sulfonamide?
The InChIKey is XYENDQKNDOXEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-17-7-2-3-8(9(14)4-7)13-18(15,16)10-5-11-6-12-10/h2-6,13-14H,1H3,(H,11,12).
What are the key properties of N-(2-hydroxy-4-methoxyphenyl)-1H-imidazole-5-sulfonamide?
N-(2-hydroxy-4-methoxyphenyl)-1H-imidazole-5-sulfonamide has a molecular weight of 269.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methoxyphenyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 102695858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).