N-[(Z)-(4-bromophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide

C16H16BrN3O3S — CID 126146513

IUPACN-[(Z)-(4-bromophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)N/N=C\c2ccc(Br)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C16H16BrN3O3S/c1-20(24(2,22)23)15-9-5-13(6-10-15)16(21)19-18-11-12-3-7-14(17)8-4-12/h3-11H,1-2H3,(H,19,21)/b18-11-
InChIKeyGPKYMLZGVCYJKQ-WQRHYEAKSA-N
MW410.29 g/mol
LogP2.61
Rot. Bonds5

About N-[(Z)-(4-bromophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide

N-[(Z)-(4-bromophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 126146513) has the molecular formula C16H16BrN3O3S and a molecular weight of 410.29 g/mol. Its IUPAC name is N-[(Z)-(4-bromophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[(Z)-(4-bromophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID126146513
Molecular FormulaC16H16BrN3O3S
Molecular Weight410.29 g/mol
Exact Mass409.01
IUPAC NameN-[(Z)-(4-bromophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)N/N=C\c2ccc(Br)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C16H16BrN3O3S/c1-20(24(2,22)23)15-9-5-13(6-10-15)16(21)19-18-11-12-3-7-14(17)8-4-12/h3-11H,1-2H3,(H,19,21)/b18-11-
InChIKeyGPKYMLZGVCYJKQ-WQRHYEAKSA-N
XLogP2.61
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 ≤ 52.61
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

4-[methyl(methylsulfonyl)amino]-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 126126939
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126122035
N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126150848
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
N-(4-bromophenyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 1210609
4-[methyl(methylsulfonyl)amino]-N-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]benzamide
CID 126117645
4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide
CID 725933
N-[(E)-(4-bromophenyl)methylideneamino]-1-methylpyridin-1-ium-4-carboxamide iodide
CID 5334007
N-[(E)-(4-bromophenyl)methylideneamino]-1-methylpyridin-1-ium-4-carboxamide;hydroiodide
CID 126957688
N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126128178
4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 7768186

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide (CID 126146513) is N-[(Z)-(4-bromophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[(Z)-(4-bromophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[(Z)-(4-bromophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide is CN(c1ccc(C(=O)N/N=C\c2ccc(Br)cc2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[(Z)-(4-bromophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is GPKYMLZGVCYJKQ-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H16BrN3O3S/c1-20(24(2,22)23)15-9-5-13(6-10-15)16(21)19-18-11-12-3-7-14(17)8-4-12/h3-11H,1-2H3,(H,19,21)/b18-11-.
What are the key properties of N-[(Z)-(4-bromophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide?
N-[(Z)-(4-bromophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 410.29 g/mol, XLogP of 2.61, 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]-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 126146513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).