4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide

C20H15Cl2N3O3S — CID 4119667

IUPAC4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc(Cl)c1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H15Cl2N3O3S/c21-18-8-4-5-15(19(18)22)13-23-24-20(26)14-9-11-16(12-10-14)25-29(27,28)17-6-2-1-3-7-17/h1-13,25H,(H,24,26)
InChIKeyGPBQPUYZUYHMFX-UHFFFAOYSA-N
MW448.33 g/mol
LogP4.56
Rot. Bonds6

About 4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide

4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide (PubChem CID 4119667) has the molecular formula C20H15Cl2N3O3S and a molecular weight of 448.33 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide
PubChem CID4119667
Molecular FormulaC20H15Cl2N3O3S
Molecular Weight448.33 g/mol
Exact Mass447.02
IUPAC Name4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc(Cl)c1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H15Cl2N3O3S/c21-18-8-4-5-15(19(18)22)13-23-24-20(26)14-9-11-16(12-10-14)25-29(27,28)17-6-2-1-3-7-17/h1-13,25H,(H,24,26)
InChIKeyGPBQPUYZUYHMFX-UHFFFAOYSA-N
XLogP4.56
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.33
LogP ≤ 54.56
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

4-(benzenesulfonamido)-N-[(Z)-(2-chlorophenyl)methylideneamino]benzamide
CID 6114827
4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide
CID 6076061
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide
CID 5333191
N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 4132126
4-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 136867354
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 135606823
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 6874265
3-[(4-chlorophenyl)sulfamoyl]-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2332623
4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 3484834
4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide
CID 4620480
3-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]benzamide
CID 5407459
4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 45055049

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide (CID 4119667) is 4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide is O=C(NN=Cc1cccc(Cl)c1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide?
The InChIKey is GPBQPUYZUYHMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O3S/c21-18-8-4-5-15(19(18)22)13-23-24-20(26)14-9-11-16(12-10-14)25-29(27,28)17-6-2-1-3-7-17/h1-13,25H,(H,24,26).
What are the key properties of 4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide?
4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide has a molecular weight of 448.33 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 4119667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).