N-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide

C10H11FN4O2S — CID 62375279

IUPACN-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(N)cc2F)c1
InChIInChI=1S/C10H11FN4O2S/c1-15-5-10(13-6-15)18(16,17)14-9-3-2-7(12)4-8(9)11/h2-6,14H,12H2,1H3
InChIKeyMGPFJBZDQXEAEW-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.94
Rot. Bonds3

About N-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide

N-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 62375279) has the molecular formula C10H11FN4O2S and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide
PubChem CID62375279
Molecular FormulaC10H11FN4O2S
Molecular Weight270.29 g/mol
Exact Mass270.06
IUPAC NameN-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(N)cc2F)c1
InChIInChI=1S/C10H11FN4O2S/c1-15-5-10(13-6-15)18(16,17)14-9-3-2-7(12)4-8(9)11/h2-6,14H,12H2,1H3
InChIKeyMGPFJBZDQXEAEW-UHFFFAOYSA-N
XLogP0.94
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide (CID 62375279) is N-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(N)cc2F)c1.
What is the InChIKey of N-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is MGPFJBZDQXEAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S/c1-15-5-10(13-6-15)18(16,17)14-9-3-2-7(12)4-8(9)11/h2-6,14H,12H2,1H3.
What are the key properties of N-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide?
N-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 270.29 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62375279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).