4-[benzenesulfonyl(methyl)amino]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide

C21H17Cl2N3O3S — CID 2467224

IUPAC4-[benzenesulfonyl(methyl)amino]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide
SMILESCN(c1ccc(C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17Cl2N3O3S/c1-26(30(28,29)19-5-3-2-4-6-19)18-11-8-15(9-12-18)21(27)25-24-14-16-7-10-17(22)13-20(16)23/h2-14H,1H3,(H,25,27)
InChIKeyVUTYJELQXIDTOA-UHFFFAOYSA-N
MW462.36 g/mol
LogP4.58
Rot. Bonds6

About 4-[benzenesulfonyl(methyl)amino]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide

4-[benzenesulfonyl(methyl)amino]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide (PubChem CID 2467224) has the molecular formula C21H17Cl2N3O3S and a molecular weight of 462.36 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide
PubChem CID2467224
Molecular FormulaC21H17Cl2N3O3S
Molecular Weight462.36 g/mol
Exact Mass461.04
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide
SMILESCN(c1ccc(C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17Cl2N3O3S/c1-26(30(28,29)19-5-3-2-4-6-19)18-11-8-15(9-12-18)21(27)25-24-14-16-7-10-17(22)13-20(16)23/h2-14H,1H3,(H,25,27)
InChIKeyVUTYJELQXIDTOA-UHFFFAOYSA-N
XLogP4.58
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.36
LogP ≤ 54.58
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

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359899
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
N-[(Z)-anthracen-9-ylmethylideneamino]-4-[benzenesulfonyl(methyl)amino]benzamide
CID 28588387
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide
CID 46803829
4-[benzenesulfonyl(methyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 6174804
4-[benzenesulfonyl(methyl)amino]-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 43878814
4-[benzenesulfonyl(methyl)amino]-N-[(Z)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide
CID 94831417
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 94836336
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 6172930
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126150848
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809567

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide (CID 2467224) is 4-[benzenesulfonyl(methyl)amino]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide is CN(c1ccc(C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide?
The InChIKey is VUTYJELQXIDTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O3S/c1-26(30(28,29)19-5-3-2-4-6-19)18-11-8-15(9-12-18)21(27)25-24-14-16-7-10-17(22)13-20(16)23/h2-14H,1H3,(H,25,27).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide?
4-[benzenesulfonyl(methyl)amino]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide has a molecular weight of 462.36 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 2467224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).