2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide

C22H18ClN3O3S — CID 6283942

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
SMILESO=C(N/N=C\C=C\c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN3O3S/c23-18-12-14-19(15-13-18)30(28,29)26-21-11-5-4-10-20(21)22(27)25-24-16-6-9-17-7-2-1-3-8-17/h1-16,26H,(H,25,27)/b9-6+,24-16-
InChIKeySWLHHOLBSGIRHH-PMPSOFGASA-N
MW439.92 g/mol
LogP4.57
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide

2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide (PubChem CID 6283942) has the molecular formula C22H18ClN3O3S and a molecular weight of 439.92 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
PubChem CID6283942
Molecular FormulaC22H18ClN3O3S
Molecular Weight439.92 g/mol
Exact Mass439.08
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
SMILESO=C(N/N=C\C=C\c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN3O3S/c23-18-12-14-19(15-13-18)30(28,29)26-21-11-5-4-10-20(21)22(27)25-24-16-6-9-17-7-2-1-3-8-17/h1-16,26H,(H,25,27)/b9-6+,24-16-
InChIKeySWLHHOLBSGIRHH-PMPSOFGASA-N
XLogP4.57
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.57
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

N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4537987
2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 6154481
2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 6009778
3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 18271805
[4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
CID 6070732
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135683070
2-[(4-chlorophenyl)methoxy]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 45054541
N-(cinnamylideneamino)-2-iodobenzamide
CID 4982683
2-[(4-chlorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)benzamide
CID 44898447
2-[(4-methylbenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 126007946
2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 1325152

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide (CID 6283942) is 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is O=C(N/N=C\C=C\c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
The InChIKey is SWLHHOLBSGIRHH-PMPSOFGASA-N. The full InChI is InChI=1S/C22H18ClN3O3S/c23-18-12-14-19(15-13-18)30(28,29)26-21-11-5-4-10-20(21)22(27)25-24-16-6-9-17-7-2-1-3-8-17/h1-16,26H,(H,25,27)/b9-6+,24-16-.
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide has a molecular weight of 439.92 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is sourced from PubChem (CID 6283942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).