4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide

C20H16BrN3O3S — CID 4620480

IUPAC4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc(Br)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16BrN3O3S/c21-17-6-4-5-15(13-17)14-22-23-20(25)16-9-11-18(12-10-16)24-28(26,27)19-7-2-1-3-8-19/h1-14,24H,(H,23,25)
InChIKeyQEQIFIYYNYPZAH-UHFFFAOYSA-N
MW458.34 g/mol
LogP4.01
Rot. Bonds6

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

4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide (PubChem CID 4620480) has the molecular formula C20H16BrN3O3S and a molecular weight of 458.34 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide
PubChem CID4620480
Molecular FormulaC20H16BrN3O3S
Molecular Weight458.34 g/mol
Exact Mass457.01
IUPAC Name4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc(Br)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16BrN3O3S/c21-17-6-4-5-15(13-17)14-22-23-20(25)16-9-11-18(12-10-16)24-28(26,27)19-7-2-1-3-8-19/h1-14,24H,(H,23,25)
InChIKeyQEQIFIYYNYPZAH-UHFFFAOYSA-N
XLogP4.01
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.34
LogP ≤ 54.01
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'}

Analyze 4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(benzenesulfonamido)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6021387
4-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 136867354
[4-[[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
CID 3868833
4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6289615
4-(benzenesulfonamido)-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6040213
N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 4132126
4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide
CID 6076061
N-[(E)-(3-chlorophenyl)methylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 51060542
N-[(E)-(3-bromophenyl)methylideneamino]-4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzamide
CID 177371333
4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide
CID 24643343
4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
CID 19578867
4-amino-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
CID 42995119

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide (CID 4620480) is 4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide is O=C(NN=Cc1cccc(Br)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide?
The InChIKey is QEQIFIYYNYPZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O3S/c21-17-6-4-5-15(13-17)14-22-23-20(25)16-9-11-18(12-10-16)24-28(26,27)19-7-2-1-3-8-19/h1-14,24H,(H,23,25).
What are the key properties of 4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide?
4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide has a molecular weight of 458.34 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide is sourced from PubChem (CID 4620480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).