4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide

C22H20ClN3O3S — CID 6287230

IUPAC4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClN3O3S/c1-15-3-13-21(14-4-15)30(28,29)26-25-16(2)17-7-11-20(12-8-17)24-22(27)18-5-9-19(23)10-6-18/h3-14,26H,1-2H3,(H,24,27)/b25-16-
InChIKeyWEDOKWNLJUJYCG-XYGWBWBKSA-N
MW441.94 g/mol
LogP4.60
Rot. Bonds6

About 4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide

4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide (PubChem CID 6287230) has the molecular formula C22H20ClN3O3S and a molecular weight of 441.94 g/mol. Its IUPAC name is 4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide
PubChem CID6287230
Molecular FormulaC22H20ClN3O3S
Molecular Weight441.94 g/mol
Exact Mass441.09
IUPAC Name4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClN3O3S/c1-15-3-13-21(14-4-15)30(28,29)26-25-16(2)17-7-11-20(12-8-17)24-22(27)18-5-9-19(23)10-6-18/h3-14,26H,1-2H3,(H,24,27)/b25-16-
InChIKeyWEDOKWNLJUJYCG-XYGWBWBKSA-N
XLogP4.60
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 54.60
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-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide
CID 881463
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135948718
N-[3-[N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]-4-chlorobenzamide
CID 3431894
N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide
CID 139198570
N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide
CID 6381588
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
4-methyl-N-[(Z)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide
CID 102442285
N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide
CID 56655954

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide (CID 6287230) is 4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide is C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide?
The InChIKey is WEDOKWNLJUJYCG-XYGWBWBKSA-N. The full InChI is InChI=1S/C22H20ClN3O3S/c1-15-3-13-21(14-4-15)30(28,29)26-25-16(2)17-7-11-20(12-8-17)24-22(27)18-5-9-19(23)10-6-18/h3-14,26H,1-2H3,(H,24,27)/b25-16-.
What are the key properties of 4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide?
4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide has a molecular weight of 441.94 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide is sourced from PubChem (CID 6287230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).