N-[(Z)-(4-bromophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide

C16H16BrN3O3S — CID 9359889

IUPACN-[(Z)-(4-bromophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)N/N=C\c2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrN3O3S/c1-20(2)24(22,23)15-5-3-4-13(10-15)16(21)19-18-11-12-6-8-14(17)9-7-12/h3-11H,1-2H3,(H,19,21)/b18-11-
InChIKeyKMPWZGIFKOZIHA-WQRHYEAKSA-N
MW410.29 g/mol
LogP2.46
Rot. Bonds5

About N-[(Z)-(4-bromophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide

N-[(Z)-(4-bromophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide (PubChem CID 9359889) has the molecular formula C16H16BrN3O3S and a molecular weight of 410.29 g/mol. Its IUPAC name is N-[(Z)-(4-bromophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(Z)-(4-bromophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide
PubChem CID9359889
Molecular FormulaC16H16BrN3O3S
Molecular Weight410.29 g/mol
Exact Mass409.01
IUPAC NameN-[(Z)-(4-bromophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)N/N=C\c2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrN3O3S/c1-20(2)24(22,23)15-5-3-4-13(10-15)16(21)19-18-11-12-6-8-14(17)9-7-12/h3-11H,1-2H3,(H,19,21)/b18-11-
InChIKeyKMPWZGIFKOZIHA-WQRHYEAKSA-N
XLogP2.46
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.29
LogP ≤ 52.46
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

methyl 4-[(Z)-[[3-(dimethylsulfamoyl)benzoyl]hydrazinylidene]methyl]benzoate
CID 9360011
3-(dimethylsulfamoyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
CID 9359955
3-(dimethylsulfamoyl)-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide
CID 9359854
N-[(E)-(4-bromophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 6907579
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359899
N-[(4-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 3889183
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359895
N-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733491
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide
CID 6900515
N-[(Z)-(4-bromophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126146513
N-(3-bromophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2221562

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide (CID 9359889) is N-[(Z)-(4-bromophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(Z)-(4-bromophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[(Z)-(4-bromophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)N/N=C\c2ccc(Br)cc2)c1.
What is the InChIKey of N-[(Z)-(4-bromophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is KMPWZGIFKOZIHA-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H16BrN3O3S/c1-20(2)24(22,23)15-5-3-4-13(10-15)16(21)19-18-11-12-6-8-14(17)9-7-12/h3-11H,1-2H3,(H,19,21)/b18-11-.
What are the key properties of N-[(Z)-(4-bromophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide?
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 410.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-bromophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 9359889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).