4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide

C23H20ClN3O4S — CID 45055049

IUPAC4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1ccccc1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H20ClN3O4S/c1-2-15-31-22-6-4-3-5-18(22)16-25-26-23(28)17-7-11-20(12-8-17)27-32(29,30)21-13-9-19(24)10-14-21/h2-14,16,27H,1,15H2,(H,26,28)/b25-16+
InChIKeyAOUYZPOBFXVJOQ-PCLIKHOPSA-N
MW469.95 g/mol
LogP4.47
Rot. Bonds9

About 4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide

4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide (PubChem CID 45055049) has the molecular formula C23H20ClN3O4S and a molecular weight of 469.95 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
PubChem CID45055049
Molecular FormulaC23H20ClN3O4S
Molecular Weight469.95 g/mol
Exact Mass469.09
IUPAC Name4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1ccccc1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H20ClN3O4S/c1-2-15-31-22-6-4-3-5-18(22)16-25-26-23(28)17-7-11-20(12-8-17)27-32(29,30)21-13-9-19(24)10-14-21/h2-14,16,27H,1,15H2,(H,26,28)/b25-16+
InChIKeyAOUYZPOBFXVJOQ-PCLIKHOPSA-N
XLogP4.47
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 5334393
4-(benzenesulfonamido)-N-[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 4287720
4-[(4-chlorophenyl)methoxy]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6321753
N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 4132126
4-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788843
4-(benzenesulfonamido)-N-[(Z)-(2-chlorophenyl)methylideneamino]benzamide
CID 6114827
4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6302836
N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 4153906
4-(benzenesulfonamido)-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6040213
N-[(E)-(3-chlorophenyl)methylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 51060542
4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide
CID 4119667
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 136782247

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide (CID 45055049) is 4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide is C=CCOc1ccccc1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide?
The InChIKey is AOUYZPOBFXVJOQ-PCLIKHOPSA-N. The full InChI is InChI=1S/C23H20ClN3O4S/c1-2-15-31-22-6-4-3-5-18(22)16-25-26-23(28)17-7-11-20(12-8-17)27-32(29,30)21-13-9-19(24)10-14-21/h2-14,16,27H,1,15H2,(H,26,28)/b25-16+.
What are the key properties of 4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide?
4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide has a molecular weight of 469.95 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 45055049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).