2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methylideneamino]benzamide

C28H24ClN3O3S — CID 3518058

IUPAC2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methylideneamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H24ClN3O3S/c1-21-11-17-25(18-12-21)36(34,35)32(20-23-7-3-2-4-8-23)27-10-6-5-9-26(27)28(33)31-30-19-22-13-15-24(29)16-14-22/h2-19H,20H2,1H3,(H,31,33)
InChIKeyLASAPOPOHXYBDE-UHFFFAOYSA-N
MW518.04 g/mol
LogP5.81
Rot. Bonds8

About 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methylideneamino]benzamide

2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methylideneamino]benzamide (PubChem CID 3518058) has the molecular formula C28H24ClN3O3S and a molecular weight of 518.04 g/mol. Its IUPAC name is 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methylideneamino]benzamide
PubChem CID3518058
Molecular FormulaC28H24ClN3O3S
Molecular Weight518.04 g/mol
Exact Mass517.12
IUPAC Name2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methylideneamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H24ClN3O3S/c1-21-11-17-25(18-12-21)36(34,35)32(20-23-7-3-2-4-8-23)27-10-6-5-9-26(27)28(33)31-30-19-22-13-15-24(29)16-14-22/h2-19H,20H2,1H3,(H,31,33)
InChIKeyLASAPOPOHXYBDE-UHFFFAOYSA-N
XLogP5.81
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.04
LogP ≤ 55.81
H-Bond Donors ≤ 51
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

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 43878959
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 43878926
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 4605428
N-[(E)-anthracen-9-ylmethylideneamino]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 43878954
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]phenyl]methylideneamino]benzamide
CID 126191769
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 137101847
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide
CID 43878970
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide
CID 99654847
4-[[N-(benzenesulfonyl)-3-chloro-2-methylanilino]methyl]-N-[(Z)-(4-chlorophenyl)methylideneamino]benzamide
CID 98056565
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide
CID 124544509
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylpropyl]benzamide
CID 99644429
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 4296623

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methylideneamino]benzamide?
The IUPAC name of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methylideneamino]benzamide (CID 3518058) is 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methylideneamino]benzamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methylideneamino]benzamide?
The InChIKey is LASAPOPOHXYBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3O3S/c1-21-11-17-25(18-12-21)36(34,35)32(20-23-7-3-2-4-8-23)27-10-6-5-9-26(27)28(33)31-30-19-22-13-15-24(29)16-14-22/h2-19H,20H2,1H3,(H,31,33).
What are the key properties of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methylideneamino]benzamide?
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methylideneamino]benzamide has a molecular weight of 518.04 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 3518058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).