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

C22H18FN3O3S — CID 56516682

IUPACN-[cyano-(2-fluorophenyl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NC(C#N)c3ccccc3F)cc2)cc1
InChIInChI=1S/C22H18FN3O3S/c1-15-6-10-17(11-7-15)26-30(28,29)18-12-8-16(9-13-18)22(27)25-21(14-24)19-4-2-3-5-20(19)23/h2-13,21,26H,1H3,(H,25,27)
InChIKeyVLDNOWIGDDARGY-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.93
Rot. Bonds6

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

N-[cyano-(2-fluorophenyl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 56516682) has the molecular formula C22H18FN3O3S and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[cyano-(2-fluorophenyl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[cyano-(2-fluorophenyl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID56516682
Molecular FormulaC22H18FN3O3S
Molecular Weight423.47 g/mol
Exact Mass423.11
IUPAC NameN-[cyano-(2-fluorophenyl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NC(C#N)c3ccccc3F)cc2)cc1
InChIInChI=1S/C22H18FN3O3S/c1-15-6-10-17(11-7-15)26-30(28,29)18-12-8-16(9-13-18)22(27)25-21(14-24)19-4-2-3-5-20(19)23/h2-13,21,26H,1H3,(H,25,27)
InChIKeyVLDNOWIGDDARGY-UHFFFAOYSA-N
XLogP3.93
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyano-(2-fluorophenyl)methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 56572373
N-[cyano-(2-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 56515140
3-(benzenesulfonamido)-N-[cyano-(2,4-difluorophenyl)methyl]benzamide
CID 56585745
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide
CID 82123285
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
N-[cyano(phenyl)methyl]-4-methylbenzamide
CID 10399858
N-[1-(2,5-difluorophenyl)ethyl]-4-(phenylsulfamoyl)benzamide
CID 46460775
4-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315282
4-[(4-fluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 9315283
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide (CID 56516682) is N-[cyano-(2-fluorophenyl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[cyano-(2-fluorophenyl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[cyano-(2-fluorophenyl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC(C#N)c3ccccc3F)cc2)cc1.
What is the InChIKey of N-[cyano-(2-fluorophenyl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is VLDNOWIGDDARGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3S/c1-15-6-10-17(11-7-15)26-30(28,29)18-12-8-16(9-13-18)22(27)25-21(14-24)19-4-2-3-5-20(19)23/h2-13,21,26H,1H3,(H,25,27).
What are the key properties of N-[cyano-(2-fluorophenyl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
N-[cyano-(2-fluorophenyl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 423.47 g/mol, XLogP of 3.93, 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-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 56516682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).