N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-methylimidazole-4-sulfonamide

C21H17FN4O3S — CID 57404884

IUPACN-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cccc(-c3ccc(Oc4ccc(F)cc4)cc3)n2)c1
InChIInChI=1S/C21H17FN4O3S/c1-26-13-21(23-14-26)30(27,28)25-20-4-2-3-19(24-20)15-5-9-17(10-6-15)29-18-11-7-16(22)8-12-18/h2-14H,1H3,(H,24,25)
InChIKeyQDCFBBMUOYLFTG-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.21
Rot. Bonds6

About N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-methylimidazole-4-sulfonamide

N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-methylimidazole-4-sulfonamide (PubChem CID 57404884) has the molecular formula C21H17FN4O3S and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-methylimidazole-4-sulfonamide
PubChem CID57404884
Molecular FormulaC21H17FN4O3S
Molecular Weight424.46 g/mol
Exact Mass424.10
IUPAC NameN-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cccc(-c3ccc(Oc4ccc(F)cc4)cc3)n2)c1
InChIInChI=1S/C21H17FN4O3S/c1-26-13-21(23-14-26)30(27,28)25-20-4-2-3-19(24-20)15-5-9-17(10-6-15)29-18-11-7-16(22)8-12-18/h2-14H,1H3,(H,24,25)
InChIKeyQDCFBBMUOYLFTG-UHFFFAOYSA-N
XLogP4.21
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-methylimidazole-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

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-methylimidazole-4-sulfonamide (CID 57404884) is N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2cccc(-c3ccc(Oc4ccc(F)cc4)cc3)n2)c1.
What is the InChIKey of N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is QDCFBBMUOYLFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3S/c1-26-13-21(23-14-26)30(27,28)25-20-4-2-3-19(24-20)15-5-9-17(10-6-15)29-18-11-7-16(22)8-12-18/h2-14H,1H3,(H,24,25).
What are the key properties of N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-methylimidazole-4-sulfonamide?
N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 424.46 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 57404884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).