N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide

C23H19FN4O4S — CID 122447555

IUPACN-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)cc(F)c1OC
InChIInChI=1S/C23H19FN4O4S/c1-3-33(29,30)28-19-11-14(10-15(24)21(19)31-2)13-8-9-18-20(12-13)32-23(27-18)22-25-16-6-4-5-7-17(16)26-22/h4-12,28H,3H2,1-2H3,(H,25,26)
InChIKeyGJANUHPHBNKXMX-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.95
Rot. Bonds6

About N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide

N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide (PubChem CID 122447555) has the molecular formula C23H19FN4O4S and a molecular weight of 466.49 g/mol. Its IUPAC name is N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide
PubChem CID122447555
Molecular FormulaC23H19FN4O4S
Molecular Weight466.49 g/mol
Exact Mass466.11
IUPAC NameN-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)cc(F)c1OC
InChIInChI=1S/C23H19FN4O4S/c1-3-33(29,30)28-19-11-14(10-15(24)21(19)31-2)13-8-9-18-20(12-13)32-23(27-18)22-25-16-6-4-5-7-17(16)26-22/h4-12,28H,3H2,1-2H3,(H,25,26)
InChIKeyGJANUHPHBNKXMX-UHFFFAOYSA-N
XLogP4.95
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide 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-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide?
The IUPAC name of N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide (CID 122447555) is N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide.
What is the SMILES notation for N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide?
The canonical SMILES for N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)cc(F)c1OC.
What is the InChIKey of N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide?
The InChIKey is GJANUHPHBNKXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O4S/c1-3-33(29,30)28-19-11-14(10-15(24)21(19)31-2)13-8-9-18-20(12-13)32-23(27-18)22-25-16-6-4-5-7-17(16)26-22/h4-12,28H,3H2,1-2H3,(H,25,26).
What are the key properties of N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide?
N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide has a molecular weight of 466.49 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide is sourced from PubChem (CID 122447555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).