3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide

C24H21ClN4O3S — CID 135715970

IUPAC3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
SMILESCCc1cccc2c(/C=N/NC(=O)c3cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c3)c[nH]c12
InChIInChI=1S/C24H21ClN4O3S/c1-2-16-5-4-8-22-18(14-26-23(16)22)15-27-28-24(30)17-6-3-7-21(13-17)33(31,32)29-20-11-9-19(25)10-12-20/h3-15,26,29H,2H2,1H3,(H,28,30)/b27-15+
InChIKeyOCGWYFZHJKRRNG-JFLMPSFJSA-N
MW480.98 g/mol
LogP4.95
Rot. Bonds7

About 3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide

3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide (PubChem CID 135715970) has the molecular formula C24H21ClN4O3S and a molecular weight of 480.98 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
PubChem CID135715970
Molecular FormulaC24H21ClN4O3S
Molecular Weight480.98 g/mol
Exact Mass480.10
IUPAC Name3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
SMILESCCc1cccc2c(/C=N/NC(=O)c3cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c3)c[nH]c12
InChIInChI=1S/C24H21ClN4O3S/c1-2-16-5-4-8-22-18(14-26-23(16)22)15-27-28-24(30)17-6-3-7-21(13-17)33(31,32)29-20-11-9-19(25)10-12-20/h3-15,26,29H,2H2,1H3,(H,28,30)/b27-15+
InChIKeyOCGWYFZHJKRRNG-JFLMPSFJSA-N
XLogP4.95
TPSA103.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.98
LogP ≤ 54.95
H-Bond Donors ≤ 53
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

4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 136748829
3-[(4-chlorophenyl)sulfamoyl]-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2332623
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide
CID 135679847
3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6904494
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]thiophene-2-carboxamide
CID 135557951
3-[(4-chlorophenyl)sulfamoyl]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 2332306
4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135702030
N-(4-chlorophenyl)-2-[(2E)-2-[(7-ethyl-1H-indol-3-yl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 135684470
3-[(4-chlorophenyl)sulfamoyl]-N-ethylbenzamide
CID 26637971
4-bromo-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 135846604
4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 3484834
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 2710539

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide (CID 135715970) is 3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide is CCc1cccc2c(/C=N/NC(=O)c3cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c3)c[nH]c12.
What is the InChIKey of 3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide?
The InChIKey is OCGWYFZHJKRRNG-JFLMPSFJSA-N. The full InChI is InChI=1S/C24H21ClN4O3S/c1-2-16-5-4-8-22-18(14-26-23(16)22)15-27-28-24(30)17-6-3-7-21(13-17)33(31,32)29-20-11-9-19(25)10-12-20/h3-15,26,29H,2H2,1H3,(H,28,30)/b27-15+.
What are the key properties of 3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide?
3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide has a molecular weight of 480.98 g/mol, XLogP of 4.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 135715970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).