3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(6-fluoro-1-benzofuran-3-ylidene)amino]benzamide

C21H15ClFN3O4S — CID 167830911

IUPAC3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(6-fluoro-1-benzofuran-3-ylidene)amino]benzamide
SMILESO=C(N/N=C1/COc2cc(F)ccc21)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H15ClFN3O4S/c22-14-4-7-16(8-5-14)26-31(28,29)17-3-1-2-13(10-17)21(27)25-24-19-12-30-20-11-15(23)6-9-18(19)20/h1-11,26H,12H2,(H,25,27)/b24-19-
InChIKeyZYEOJCPLVWMWBQ-CLCOLTQESA-N
MW459.89 g/mol
LogP3.81
Rot. Bonds5

About 3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(6-fluoro-1-benzofuran-3-ylidene)amino]benzamide

3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(6-fluoro-1-benzofuran-3-ylidene)amino]benzamide (PubChem CID 167830911) has the molecular formula C21H15ClFN3O4S and a molecular weight of 459.89 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(6-fluoro-1-benzofuran-3-ylidene)amino]benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(6-fluoro-1-benzofuran-3-ylidene)amino]benzamide
PubChem CID167830911
Molecular FormulaC21H15ClFN3O4S
Molecular Weight459.89 g/mol
Exact Mass459.05
IUPAC Name3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(6-fluoro-1-benzofuran-3-ylidene)amino]benzamide
SMILESO=C(N/N=C1/COc2cc(F)ccc21)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H15ClFN3O4S/c22-14-4-7-16(8-5-14)26-31(28,29)17-3-1-2-13(10-17)21(27)25-24-19-12-30-20-11-15(23)6-9-18(19)20/h1-11,26H,12H2,(H,25,27)/b24-19-
InChIKeyZYEOJCPLVWMWBQ-CLCOLTQESA-N
XLogP3.81
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.89
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24642831
3-[(4-chlorophenyl)sulfamoyl]-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2332623
N-cyclohexyl-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27670788
3-[(4-chlorophenyl)sulfamoyl]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 2332306
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzamide
CID 94783605
N-(4-chlorophenyl)-3-[(cyclopropanecarbonylamino)carbamoyl]benzenesulfonamide
CID 24642864
N-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9313924
3-[(4-chlorophenyl)sulfamoyl]-N-ethylbenzamide
CID 26637971
3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide
CID 2308611
3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6904494
3-[(4-methoxyphenyl)sulfamoyl]-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)benzamide
CID 3893125
3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063950

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(6-fluoro-1-benzofuran-3-ylidene)amino]benzamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(6-fluoro-1-benzofuran-3-ylidene)amino]benzamide (CID 167830911) is 3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(6-fluoro-1-benzofuran-3-ylidene)amino]benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(6-fluoro-1-benzofuran-3-ylidene)amino]benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(6-fluoro-1-benzofuran-3-ylidene)amino]benzamide is O=C(N/N=C1/COc2cc(F)ccc21)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(6-fluoro-1-benzofuran-3-ylidene)amino]benzamide?
The InChIKey is ZYEOJCPLVWMWBQ-CLCOLTQESA-N. The full InChI is InChI=1S/C21H15ClFN3O4S/c22-14-4-7-16(8-5-14)26-31(28,29)17-3-1-2-13(10-17)21(27)25-24-19-12-30-20-11-15(23)6-9-18(19)20/h1-11,26H,12H2,(H,25,27)/b24-19-.
What are the key properties of 3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(6-fluoro-1-benzofuran-3-ylidene)amino]benzamide?
3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(6-fluoro-1-benzofuran-3-ylidene)amino]benzamide has a molecular weight of 459.89 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(6-fluoro-1-benzofuran-3-ylidene)amino]benzamide is sourced from PubChem (CID 167830911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).