N-[(4-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide

C22H20BrN3O3S — CID 3889183

IUPACN-[(4-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3ccc(Br)cc3)c2)c(C)c1
InChIInChI=1S/C22H20BrN3O3S/c1-15-6-11-21(16(2)12-15)26-30(28,29)20-5-3-4-18(13-20)22(27)25-24-14-17-7-9-19(23)10-8-17/h3-14,26H,1-2H3,(H,25,27)
InChIKeyNRAJGZPVTZEBTQ-UHFFFAOYSA-N
MW486.39 g/mol
LogP4.63
Rot. Bonds6

About N-[(4-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide

N-[(4-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 3889183) has the molecular formula C22H20BrN3O3S and a molecular weight of 486.39 g/mol. Its IUPAC name is N-[(4-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
PubChem CID3889183
Molecular FormulaC22H20BrN3O3S
Molecular Weight486.39 g/mol
Exact Mass485.04
IUPAC NameN-[(4-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3ccc(Br)cc3)c2)c(C)c1
InChIInChI=1S/C22H20BrN3O3S/c1-15-6-11-21(16(2)12-15)26-30(28,29)20-5-3-4-18(13-20)22(27)25-24-14-17-7-9-19(23)10-8-17/h3-14,26H,1-2H3,(H,25,27)
InChIKeyNRAJGZPVTZEBTQ-UHFFFAOYSA-N
XLogP4.63
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.39
LogP ≤ 54.63
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-[(Z)-(2-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 6274738
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 42991202
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 3652547
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359889
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide
CID 6902807
N-[(E)-(4-bromophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 6907579
3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide
CID 109062045
[4-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 6001808
3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 26979454
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
3-[(but-1-en-2-ylamino)carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide
CID 2692226

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(4-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide (CID 3889183) is N-[(4-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(4-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(4-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3ccc(Br)cc3)c2)c(C)c1.
What is the InChIKey of N-[(4-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is NRAJGZPVTZEBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O3S/c1-15-6-11-21(16(2)12-15)26-30(28,29)20-5-3-4-18(13-20)22(27)25-24-14-17-7-9-19(23)10-8-17/h3-14,26H,1-2H3,(H,25,27).
What are the key properties of N-[(4-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
N-[(4-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide has a molecular weight of 486.39 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 3889183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).