3-(benzenesulfonamido)-N-[cyano-(2,4-difluorophenyl)methyl]benzamide

C21H15F2N3O3S — CID 56585745

IUPAC3-(benzenesulfonamido)-N-[cyano-(2,4-difluorophenyl)methyl]benzamide
SMILESN#CC(NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(F)cc1F
InChIInChI=1S/C21H15F2N3O3S/c22-15-9-10-18(19(23)12-15)20(13-24)25-21(27)14-5-4-6-16(11-14)26-30(28,29)17-7-2-1-3-8-17/h1-12,20,26H,(H,25,27)
InChIKeyAQLZISZMMDGBDW-UHFFFAOYSA-N
MW427.43 g/mol
LogP3.76
Rot. Bonds6

About 3-(benzenesulfonamido)-N-[cyano-(2,4-difluorophenyl)methyl]benzamide

3-(benzenesulfonamido)-N-[cyano-(2,4-difluorophenyl)methyl]benzamide (PubChem CID 56585745) has the molecular formula C21H15F2N3O3S and a molecular weight of 427.43 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[cyano-(2,4-difluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[cyano-(2,4-difluorophenyl)methyl]benzamide
PubChem CID56585745
Molecular FormulaC21H15F2N3O3S
Molecular Weight427.43 g/mol
Exact Mass427.08
IUPAC Name3-(benzenesulfonamido)-N-[cyano-(2,4-difluorophenyl)methyl]benzamide
SMILESN#CC(NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(F)cc1F
InChIInChI=1S/C21H15F2N3O3S/c22-15-9-10-18(19(23)12-15)20(13-24)25-21(27)14-5-4-6-16(11-14)26-30(28,29)17-7-2-1-3-8-17/h1-12,20,26H,(H,25,27)
InChIKeyAQLZISZMMDGBDW-UHFFFAOYSA-N
XLogP3.76
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(benzenesulfonamido)-N-[cyano-(2,4-difluorophenyl)methyl]benzamide 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-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 24635649
N-[cyano-(2,4-difluorophenyl)methyl]-4-phenylbenzamide
CID 56536876
3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 9409977
N-[cyano-(2,4-difluorophenyl)methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 56584610
N-[cyano-(2-fluorophenyl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 56516682
N-[cyano-(2,4-difluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 56537065
N-[cyano-(2-fluorophenyl)methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 56572373
N-[(S)-cyano-(2,4-difluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 95618021
N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(dimethylcarbamoylamino)benzamide
CID 95774319
N-[cyano-(2,4-difluorophenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 56584612
N-[cyano-(2-methylphenyl)methyl]-3-fluorobenzamide
CID 82123284
N-[1-(2,5-difluorophenyl)ethyl]-4-(phenylsulfamoyl)benzamide
CID 46460775

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[cyano-(2,4-difluorophenyl)methyl]benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[cyano-(2,4-difluorophenyl)methyl]benzamide (CID 56585745) is 3-(benzenesulfonamido)-N-[cyano-(2,4-difluorophenyl)methyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[cyano-(2,4-difluorophenyl)methyl]benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[cyano-(2,4-difluorophenyl)methyl]benzamide is N#CC(NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(F)cc1F.
What is the InChIKey of 3-(benzenesulfonamido)-N-[cyano-(2,4-difluorophenyl)methyl]benzamide?
The InChIKey is AQLZISZMMDGBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O3S/c22-15-9-10-18(19(23)12-15)20(13-24)25-21(27)14-5-4-6-16(11-14)26-30(28,29)17-7-2-1-3-8-17/h1-12,20,26H,(H,25,27).
What are the key properties of 3-(benzenesulfonamido)-N-[cyano-(2,4-difluorophenyl)methyl]benzamide?
3-(benzenesulfonamido)-N-[cyano-(2,4-difluorophenyl)methyl]benzamide has a molecular weight of 427.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[cyano-(2,4-difluorophenyl)methyl]benzamide is sourced from PubChem (CID 56585745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).