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

Related Compounds

N-(1H-imidazol-2-ylmethyl)-2-methylsulfonyl-N-[(2-phenylphenyl)methyl]acetamide
CID 42796353
2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 2565728
N-(2-aminophenyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43550537
4-fluoro-N-(2-methoxyphenyl)-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 24623442
N-benzyl-4-fluoro-N-(1-phenylpyrazolo[3,4-b]pyridin-4-yl)benzenesulfonamide
CID 141025517
ethyl 2-(N-(4-methylsulfanylphenyl)sulfonyl-2-phenylanilino)acetate
CID 100519635
3-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 135107200
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-phenylphenyl)acetamide
CID 1314109
N-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 95046460
4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylaniline
CID 59708985
3-amino-4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64512733
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 4541167

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).