4-[[(2-cyanophenyl)sulfonylamino]methyl]-N-[(4-fluoro-3-methylphenyl)methyl]benzamide

C23H20FN3O3S — CID 18208923

IUPAC4-[[(2-cyanophenyl)sulfonylamino]methyl]-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccccc3C#N)cc2)ccc1F
InChIInChI=1S/C23H20FN3O3S/c1-16-12-18(8-11-21(16)24)14-26-23(28)19-9-6-17(7-10-19)15-27-31(29,30)22-5-3-2-4-20(22)13-25/h2-12,27H,14-15H2,1H3,(H,26,28)
InChIKeyZBZPOTJCUJDPNA-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.41
Rot. Bonds7

About 4-[[(2-cyanophenyl)sulfonylamino]methyl]-N-[(4-fluoro-3-methylphenyl)methyl]benzamide

4-[[(2-cyanophenyl)sulfonylamino]methyl]-N-[(4-fluoro-3-methylphenyl)methyl]benzamide (PubChem CID 18208923) has the molecular formula C23H20FN3O3S and a molecular weight of 437.50 g/mol. Its IUPAC name is 4-[[(2-cyanophenyl)sulfonylamino]methyl]-N-[(4-fluoro-3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[(2-cyanophenyl)sulfonylamino]methyl]-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
PubChem CID18208923
Molecular FormulaC23H20FN3O3S
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC Name4-[[(2-cyanophenyl)sulfonylamino]methyl]-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccccc3C#N)cc2)ccc1F
InChIInChI=1S/C23H20FN3O3S/c1-16-12-18(8-11-21(16)24)14-26-23(28)19-9-6-17(7-10-19)15-27-31(29,30)22-5-3-2-4-20(22)13-25/h2-12,27H,14-15H2,1H3,(H,26,28)
InChIKeyZBZPOTJCUJDPNA-UHFFFAOYSA-N
XLogP3.41
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565
4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155521819
N-[(4-fluoro-3-methylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 24581067
5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide
CID 33305075
2-cyano-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60729128
4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
CID 115161009
2-cyano-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948091
6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide
CID 115116506
2-cyano-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide
CID 9031818
N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide
CID 8713182
4-chloro-3-(dimethylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
CID 33305283
N-[[4-(bromomethyl)phenyl]methyl]-4-fluoro-3-methylbenzamide
CID 107233716

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-cyanophenyl)sulfonylamino]methyl]-N-[(4-fluoro-3-methylphenyl)methyl]benzamide?
The IUPAC name of 4-[[(2-cyanophenyl)sulfonylamino]methyl]-N-[(4-fluoro-3-methylphenyl)methyl]benzamide (CID 18208923) is 4-[[(2-cyanophenyl)sulfonylamino]methyl]-N-[(4-fluoro-3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[[(2-cyanophenyl)sulfonylamino]methyl]-N-[(4-fluoro-3-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-[[(2-cyanophenyl)sulfonylamino]methyl]-N-[(4-fluoro-3-methylphenyl)methyl]benzamide is Cc1cc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccccc3C#N)cc2)ccc1F.
What is the InChIKey of 4-[[(2-cyanophenyl)sulfonylamino]methyl]-N-[(4-fluoro-3-methylphenyl)methyl]benzamide?
The InChIKey is ZBZPOTJCUJDPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S/c1-16-12-18(8-11-21(16)24)14-26-23(28)19-9-6-17(7-10-19)15-27-31(29,30)22-5-3-2-4-20(22)13-25/h2-12,27H,14-15H2,1H3,(H,26,28).
What are the key properties of 4-[[(2-cyanophenyl)sulfonylamino]methyl]-N-[(4-fluoro-3-methylphenyl)methyl]benzamide?
4-[[(2-cyanophenyl)sulfonylamino]methyl]-N-[(4-fluoro-3-methylphenyl)methyl]benzamide has a molecular weight of 437.50 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-cyanophenyl)sulfonylamino]methyl]-N-[(4-fluoro-3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 18208923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).