2-(benzenesulfonyl)-1-hydroxy-5-methylimidazol-4-ol

C10H10N2O4S — CID 150917598

IUPAC2-(benzenesulfonyl)-1-hydroxy-5-methylimidazol-4-ol
SMILESCc1c(O)nc(S(=O)(=O)c2ccccc2)n1O
InChIInChI=1S/C10H10N2O4S/c1-7-9(13)11-10(12(7)14)17(15,16)8-5-3-2-4-6-8/h2-6,13-14H,1H3
InChIKeyLDILOYSAWYOTOM-UHFFFAOYSA-N
MW254.27 g/mol
LogP0.97
Rot. Bonds2

About 2-(benzenesulfonyl)-1-hydroxy-5-methylimidazol-4-ol

2-(benzenesulfonyl)-1-hydroxy-5-methylimidazol-4-ol (PubChem CID 150917598) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-hydroxy-5-methylimidazol-4-ol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-hydroxy-5-methylimidazol-4-ol
PubChem CID150917598
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC Name2-(benzenesulfonyl)-1-hydroxy-5-methylimidazol-4-ol
SMILESCc1c(O)nc(S(=O)(=O)c2ccccc2)n1O
InChIInChI=1S/C10H10N2O4S/c1-7-9(13)11-10(12(7)14)17(15,16)8-5-3-2-4-6-8/h2-6,13-14H,1H3
InChIKeyLDILOYSAWYOTOM-UHFFFAOYSA-N
XLogP0.97
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-hydroxy-5-methylimidazol-4-ol?
The IUPAC name of 2-(benzenesulfonyl)-1-hydroxy-5-methylimidazol-4-ol (CID 150917598) is 2-(benzenesulfonyl)-1-hydroxy-5-methylimidazol-4-ol.
What is the SMILES notation for 2-(benzenesulfonyl)-1-hydroxy-5-methylimidazol-4-ol?
The canonical SMILES for 2-(benzenesulfonyl)-1-hydroxy-5-methylimidazol-4-ol is Cc1c(O)nc(S(=O)(=O)c2ccccc2)n1O.
What is the InChIKey of 2-(benzenesulfonyl)-1-hydroxy-5-methylimidazol-4-ol?
The InChIKey is LDILOYSAWYOTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S/c1-7-9(13)11-10(12(7)14)17(15,16)8-5-3-2-4-6-8/h2-6,13-14H,1H3.
What are the key properties of 2-(benzenesulfonyl)-1-hydroxy-5-methylimidazol-4-ol?
2-(benzenesulfonyl)-1-hydroxy-5-methylimidazol-4-ol has a molecular weight of 254.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-hydroxy-5-methylimidazol-4-ol is sourced from PubChem (CID 150917598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).