N-(2-hydroxy-6-nitrophenyl)-1-methylimidazole-4-sulfonamide

C10H10N4O5S — CID 107681543

IUPACN-(2-hydroxy-6-nitrophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2c(O)cccc2[N+](=O)[O-])c1
InChIInChI=1S/C10H10N4O5S/c1-13-5-9(11-6-13)20(18,19)12-10-7(14(16)17)3-2-4-8(10)15/h2-6,12,15H,1H3
InChIKeyXHAGYXXLBSJPQZ-UHFFFAOYSA-N
MW298.28 g/mol
LogP0.83
Rot. Bonds4

About N-(2-hydroxy-6-nitrophenyl)-1-methylimidazole-4-sulfonamide

N-(2-hydroxy-6-nitrophenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 107681543) has the molecular formula C10H10N4O5S and a molecular weight of 298.28 g/mol. Its IUPAC name is N-(2-hydroxy-6-nitrophenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-nitrophenyl)-1-methylimidazole-4-sulfonamide
PubChem CID107681543
Molecular FormulaC10H10N4O5S
Molecular Weight298.28 g/mol
Exact Mass298.04
IUPAC NameN-(2-hydroxy-6-nitrophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2c(O)cccc2[N+](=O)[O-])c1
InChIInChI=1S/C10H10N4O5S/c1-13-5-9(11-6-13)20(18,19)12-10-7(14(16)17)3-2-4-8(10)15/h2-6,12,15H,1H3
InChIKeyXHAGYXXLBSJPQZ-UHFFFAOYSA-N
XLogP0.83
TPSA127.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-3-nitro-2-pyridinyl)-1-methylimidazole-4-sulfonamide
CID 104821441
1-hydroxy-3-nitro-2-(sulfamoylamino)benzene
CID 107681501
N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 55068186
1-bromo-N-(2-hydroxy-6-nitrophenyl)methanesulfonamide
CID 107681657
N-(2-hydroxy-6-nitrophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 107681575
2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid
CID 62375790
5-ethyl-N-(2-hydroxy-6-nitrophenyl)thiophene-2-sulfonamide
CID 107681550
N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 46897919
N-[2-(3-aminoprop-1-ynyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 62375470
2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654101
2-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814330
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 62374305

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-nitrophenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-6-nitrophenyl)-1-methylimidazole-4-sulfonamide (CID 107681543) is N-(2-hydroxy-6-nitrophenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-6-nitrophenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-6-nitrophenyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2c(O)cccc2[N+](=O)[O-])c1.
What is the InChIKey of N-(2-hydroxy-6-nitrophenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is XHAGYXXLBSJPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O5S/c1-13-5-9(11-6-13)20(18,19)12-10-7(14(16)17)3-2-4-8(10)15/h2-6,12,15H,1H3.
What are the key properties of N-(2-hydroxy-6-nitrophenyl)-1-methylimidazole-4-sulfonamide?
N-(2-hydroxy-6-nitrophenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 298.28 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-nitrophenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 107681543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).