3-[(4-chlorophenyl)sulfamoyl]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide

C21H15ClF3N3O3S — CID 2332306

IUPAC3-[(4-chlorophenyl)sulfamoyl]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccccc1C(F)(F)F)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H15ClF3N3O3S/c22-16-8-10-17(11-9-16)28-32(30,31)18-6-3-5-14(12-18)20(29)27-26-13-15-4-1-2-7-19(15)21(23,24)25/h1-13,28H,(H,27,29)
InChIKeyJYKGQTOSMZHTNM-UHFFFAOYSA-N
MW481.88 g/mol
LogP4.92
Rot. Bonds6

About 3-[(4-chlorophenyl)sulfamoyl]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide

3-[(4-chlorophenyl)sulfamoyl]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide (PubChem CID 2332306) has the molecular formula C21H15ClF3N3O3S and a molecular weight of 481.88 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfamoyl]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfamoyl]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
PubChem CID2332306
Molecular FormulaC21H15ClF3N3O3S
Molecular Weight481.88 g/mol
Exact Mass481.05
IUPAC Name3-[(4-chlorophenyl)sulfamoyl]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccccc1C(F)(F)F)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H15ClF3N3O3S/c22-16-8-10-17(11-9-16)28-32(30,31)18-6-3-5-14(12-18)20(29)27-26-13-15-4-1-2-7-19(15)21(23,24)25/h1-13,28H,(H,27,29)
InChIKeyJYKGQTOSMZHTNM-UHFFFAOYSA-N
XLogP4.92
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.88
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-chlorophenyl)sulfamoyl]-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2332623
4-[(4-bromophenyl)sulfonylamino]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 6904569
3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6904494
3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 4588973
N-[(E)-(2,6-difluorophenyl)methylideneamino]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 42992107
3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135715970
4-(benzenesulfonamido)-N-[(Z)-(2-chlorophenyl)methylideneamino]benzamide
CID 6114827
N-(4-chlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 6079733
3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide
CID 2308611
4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide
CID 4119667
2-[2-[[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 2390321
4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 1349846

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfamoyl]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfamoyl]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide (CID 2332306) is 3-[(4-chlorophenyl)sulfamoyl]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfamoyl]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfamoyl]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide is O=C(NN=Cc1ccccc1C(F)(F)F)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfamoyl]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide?
The InChIKey is JYKGQTOSMZHTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N3O3S/c22-16-8-10-17(11-9-16)28-32(30,31)18-6-3-5-14(12-18)20(29)27-26-13-15-4-1-2-7-19(15)21(23,24)25/h1-13,28H,(H,27,29).
What are the key properties of 3-[(4-chlorophenyl)sulfamoyl]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide?
3-[(4-chlorophenyl)sulfamoyl]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide has a molecular weight of 481.88 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfamoyl]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 2332306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).