N-[cyano-(2-fluorophenyl)methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide

C21H15F2N3O3S — CID 56572373

IUPACN-[cyano-(2-fluorophenyl)methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESN#CC(NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccccc1F
InChIInChI=1S/C21H15F2N3O3S/c22-17-6-2-1-5-16(17)20(13-24)25-21(27)14-9-11-15(12-10-14)30(28,29)26-19-8-4-3-7-18(19)23/h1-12,20,26H,(H,25,27)
InChIKeyGVQPVWLMEKHSII-UHFFFAOYSA-N
MW427.43 g/mol
LogP3.76
Rot. Bonds6

About N-[cyano-(2-fluorophenyl)methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide

N-[cyano-(2-fluorophenyl)methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide (PubChem CID 56572373) has the molecular formula C21H15F2N3O3S and a molecular weight of 427.43 g/mol. Its IUPAC name is N-[cyano-(2-fluorophenyl)methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[cyano-(2-fluorophenyl)methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
PubChem CID56572373
Molecular FormulaC21H15F2N3O3S
Molecular Weight427.43 g/mol
Exact Mass427.08
IUPAC NameN-[cyano-(2-fluorophenyl)methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESN#CC(NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccccc1F
InChIInChI=1S/C21H15F2N3O3S/c22-17-6-2-1-5-16(17)20(13-24)25-21(27)14-9-11-15(12-10-14)30(28,29)26-19-8-4-3-7-18(19)23/h1-12,20,26H,(H,25,27)
InChIKeyGVQPVWLMEKHSII-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

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Related Compounds

N-[cyano-(2-fluorophenyl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 56516682
4-[(2-fluorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 46651101
N-[cyano-(2-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 56515140
N-[cyano-(2-fluorophenyl)methyl]-4-cyclohexylbenzamide
CID 56516675
N-(4-cyanophenyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 26699329
3-(benzenesulfonamido)-N-[cyano-(2,4-difluorophenyl)methyl]benzamide
CID 56585745
4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232
3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide
CID 24666950
N-cycloheptyl-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 71903641
N-[2-(difluoromethoxy)phenyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 2353818
N-[(S)-cyano-(2-fluorophenyl)methyl]-4-(1,3-thiazol-4-yl)benzamide
CID 97051265
2-bromo-N-[(S)-cyano-(2-fluorophenyl)methyl]benzamide
CID 96533894

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide (CID 56572373) is N-[cyano-(2-fluorophenyl)methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[cyano-(2-fluorophenyl)methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[cyano-(2-fluorophenyl)methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide is N#CC(NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccccc1F.
What is the InChIKey of N-[cyano-(2-fluorophenyl)methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is GVQPVWLMEKHSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O3S/c22-17-6-2-1-5-16(17)20(13-24)25-21(27)14-9-11-15(12-10-14)30(28,29)26-19-8-4-3-7-18(19)23/h1-12,20,26H,(H,25,27).
What are the key properties of N-[cyano-(2-fluorophenyl)methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide?
N-[cyano-(2-fluorophenyl)methyl]-4-[(2-fluorophenyl)sulfamoyl]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 N-[cyano-(2-fluorophenyl)methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 56572373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).