4-bromo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide

C16H17BrN2O5S — CID 2692993

IUPAC4-bromo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1cc(C=NNS(=O)(=O)c2ccc(Br)cc2)cc(OC)c1OC
InChIInChI=1S/C16H17BrN2O5S/c1-22-14-8-11(9-15(23-2)16(14)24-3)10-18-19-25(20,21)13-6-4-12(17)5-7-13/h4-10,19H,1-3H3
InChIKeySFNVJZNLKPQGLM-UHFFFAOYSA-N
MW429.29 g/mol
LogP2.79
Rot. Bonds7

About 4-bromo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide

4-bromo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 2692993) has the molecular formula C16H17BrN2O5S and a molecular weight of 429.29 g/mol. Its IUPAC name is 4-bromo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID2692993
Molecular FormulaC16H17BrN2O5S
Molecular Weight429.29 g/mol
Exact Mass428.00
IUPAC Name4-bromo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1cc(C=NNS(=O)(=O)c2ccc(Br)cc2)cc(OC)c1OC
InChIInChI=1S/C16H17BrN2O5S/c1-22-14-8-11(9-15(23-2)16(14)24-3)10-18-19-25(20,21)13-6-4-12(17)5-7-13/h4-10,19H,1-3H3
InChIKeySFNVJZNLKPQGLM-UHFFFAOYSA-N
XLogP2.79
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide 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

N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzenesulfonamide
CID 110516421
4-bromo-N-[(3,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643274
4-bromo-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2590678
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516716
N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 6910107
N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6134725
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 1369575
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 136849979
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 110517357
4-bromo-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]benzenesulfonamide
CID 6052627
N-[(E)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-4-fluorobenzenesulfonamide
CID 110516388
5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517070

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide (CID 2692993) is 4-bromo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide is COc1cc(C=NNS(=O)(=O)c2ccc(Br)cc2)cc(OC)c1OC.
What is the InChIKey of 4-bromo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is SFNVJZNLKPQGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O5S/c1-22-14-8-11(9-15(23-2)16(14)24-3)10-18-19-25(20,21)13-6-4-12(17)5-7-13/h4-10,19H,1-3H3.
What are the key properties of 4-bromo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
4-bromo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 429.29 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 2692993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).