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

C22H20BrN3O3S — CID 6274738

IUPACN-[(Z)-(2-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C\c3ccccc3Br)c2)c(C)c1
InChIInChI=1S/C22H20BrN3O3S/c1-15-10-11-21(16(2)12-15)26-30(28,29)19-8-5-7-17(13-19)22(27)25-24-14-18-6-3-4-9-20(18)23/h3-14,26H,1-2H3,(H,25,27)/b24-14-
InChIKeyGTCKSEAONXYCNX-OYKKKHCWSA-N
MW486.39 g/mol
LogP4.63
Rot. Bonds6

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

N-[(Z)-(2-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 6274738) has the molecular formula C22H20BrN3O3S and a molecular weight of 486.39 g/mol. Its IUPAC name is N-[(Z)-(2-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-(2-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
PubChem CID6274738
Molecular FormulaC22H20BrN3O3S
Molecular Weight486.39 g/mol
Exact Mass485.04
IUPAC NameN-[(Z)-(2-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C\c3ccccc3Br)c2)c(C)c1
InChIInChI=1S/C22H20BrN3O3S/c1-15-10-11-21(16(2)12-15)26-30(28,29)19-8-5-7-17(13-19)22(27)25-24-14-18-6-3-4-9-20(18)23/h3-14,26H,1-2H3,(H,25,27)/b24-14-
InChIKeyGTCKSEAONXYCNX-OYKKKHCWSA-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-[(4-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 3889183
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
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
4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide
CID 6076061
N-[(2-bromophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 2589638
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498995
3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 26979454
3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide
CID 109062045
N-[(E)-(2,4-dimethylphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 6907606
2-[2-[[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 2325253

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide (CID 6274738) is N-[(Z)-(2-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(Z)-(2-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(Z)-(2-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C\c3ccccc3Br)c2)c(C)c1.
What is the InChIKey of N-[(Z)-(2-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is GTCKSEAONXYCNX-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H20BrN3O3S/c1-15-10-11-21(16(2)12-15)26-30(28,29)19-8-5-7-17(13-19)22(27)25-24-14-18-6-3-4-9-20(18)23/h3-14,26H,1-2H3,(H,25,27)/b24-14-.
What are the key properties of N-[(Z)-(2-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
N-[(Z)-(2-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-[(Z)-(2-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 6274738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).