1-[(4-fluorophenyl)methyl]-3-(2-phenylphenyl)sulfonylurea

C20H17FN2O3S — CID 142661395

IUPAC1-[(4-fluorophenyl)methyl]-3-(2-phenylphenyl)sulfonylurea
SMILESO=C(NCc1ccc(F)cc1)NS(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C20H17FN2O3S/c21-17-12-10-15(11-13-17)14-22-20(24)23-27(25,26)19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-13H,14H2,(H2,22,23,24)
InChIKeyBPLKJJKSGLJFOI-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.68
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3-(2-phenylphenyl)sulfonylurea

1-[(4-fluorophenyl)methyl]-3-(2-phenylphenyl)sulfonylurea (PubChem CID 142661395) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(2-phenylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(2-phenylphenyl)sulfonylurea
PubChem CID142661395
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(2-phenylphenyl)sulfonylurea
SMILESO=C(NCc1ccc(F)cc1)NS(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C20H17FN2O3S/c21-17-12-10-15(11-13-17)14-22-20(24)23-27(25,26)19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-13H,14H2,(H2,22,23,24)
InChIKeyBPLKJJKSGLJFOI-UHFFFAOYSA-N
XLogP3.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methyl]-3-(2-phenylphenyl)sulfonylurea 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

1-[2-[4-[[4-(difluoromethylsulfanyl)-2-propan-2-ylimidazol-1-yl]methyl]phenyl]phenyl]sulfonyl-3-[(4-fluorophenyl)methyl]urea
CID 57134354
(2-phenylphenyl)sulfonylcarbamic acid
CID 23312596
1-benzyl-3-(2-methyl-6-phenylphenyl)sulfonylurea
CID 139747810
1-(2-methylphenyl)sulfonyl-3-[(4-methylsulfanylphenyl)methyl]urea
CID 25042936
1-[[4-(dimethylamino)phenyl]methyl]-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]urea
CID 71139051
2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 78761130
2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid
CID 110823533
1-(2-chloro-4-pyridinyl)-3-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]urea
CID 88907437
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
1-[(3,5-dichlorophenyl)methyl]-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]urea
CID 71140307
4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155521819
1-tert-butyl-3-[(4-fluorophenyl)methyl]urea
CID 59397344

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-phenylphenyl)sulfonylurea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-phenylphenyl)sulfonylurea (CID 142661395) is 1-[(4-fluorophenyl)methyl]-3-(2-phenylphenyl)sulfonylurea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(2-phenylphenyl)sulfonylurea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(2-phenylphenyl)sulfonylurea is O=C(NCc1ccc(F)cc1)NS(=O)(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(2-phenylphenyl)sulfonylurea?
The InChIKey is BPLKJJKSGLJFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c21-17-12-10-15(11-13-17)14-22-20(24)23-27(25,26)19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-13H,14H2,(H2,22,23,24).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(2-phenylphenyl)sulfonylurea?
1-[(4-fluorophenyl)methyl]-3-(2-phenylphenyl)sulfonylurea has a molecular weight of 384.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(2-phenylphenyl)sulfonylurea is sourced from PubChem (CID 142661395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).