4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-(2-phenylphenyl)benzenesulfonamide

C22H18FN3O2S — CID 121231398

IUPAC4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-(2-phenylphenyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(Cc1ncc[nH]1)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H18FN3O2S/c23-18-10-12-19(13-11-18)29(27,28)26(16-22-24-14-15-25-22)21-9-5-4-8-20(21)17-6-2-1-3-7-17/h1-15H,16H2,(H,24,25)
InChIKeyPCDMCECXKAELMI-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.61
Rot. Bonds6

About 4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-(2-phenylphenyl)benzenesulfonamide

4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-(2-phenylphenyl)benzenesulfonamide (PubChem CID 121231398) has the molecular formula C22H18FN3O2S and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-(2-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-(2-phenylphenyl)benzenesulfonamide
PubChem CID121231398
Molecular FormulaC22H18FN3O2S
Molecular Weight407.47 g/mol
Exact Mass407.11
IUPAC Name4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-(2-phenylphenyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(Cc1ncc[nH]1)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H18FN3O2S/c23-18-10-12-19(13-11-18)29(27,28)26(16-22-24-14-15-25-22)21-9-5-4-8-20(21)17-6-2-1-3-7-17/h1-15H,16H2,(H,24,25)
InChIKeyPCDMCECXKAELMI-UHFFFAOYSA-N
XLogP4.61
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-(2-phenylphenyl)benzenesulfonamide 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 4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-(2-phenylphenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-(2-phenylphenyl)benzenesulfonamide (CID 121231398) is 4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-(2-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-(2-phenylphenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-(2-phenylphenyl)benzenesulfonamide is O=S(=O)(c1ccc(F)cc1)N(Cc1ncc[nH]1)c1ccccc1-c1ccccc1.
What is the InChIKey of 4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-(2-phenylphenyl)benzenesulfonamide?
The InChIKey is PCDMCECXKAELMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2S/c23-18-10-12-19(13-11-18)29(27,28)26(16-22-24-14-15-25-22)21-9-5-4-8-20(21)17-6-2-1-3-7-17/h1-15H,16H2,(H,24,25).
What are the key properties of 4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-(2-phenylphenyl)benzenesulfonamide?
4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-(2-phenylphenyl)benzenesulfonamide has a molecular weight of 407.47 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-(2-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 121231398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).