N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide

C15H15BrN2O4S — CID 1001778

IUPACN-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1cc(Br)c(C=NNS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C15H15BrN2O4S/c1-21-14-8-11(13(16)9-15(14)22-2)10-17-18-23(19,20)12-6-4-3-5-7-12/h3-10,18H,1-2H3
InChIKeyGWCUCCVYGPUGFI-UHFFFAOYSA-N
MW399.27 g/mol
LogP2.78
Rot. Bonds6

About N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide

N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 1001778) has the molecular formula C15H15BrN2O4S and a molecular weight of 399.27 g/mol. Its IUPAC name is N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID1001778
Molecular FormulaC15H15BrN2O4S
Molecular Weight399.27 g/mol
Exact Mass397.99
IUPAC NameN-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1cc(Br)c(C=NNS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C15H15BrN2O4S/c1-21-14-8-11(13(16)9-15(14)22-2)10-17-18-23(19,20)12-6-4-3-5-7-12/h3-10,18H,1-2H3
InChIKeyGWCUCCVYGPUGFI-UHFFFAOYSA-N
XLogP2.78
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1001980
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 6908544
3,4-dimethoxy-N-[(E)-(2-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517450
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 1001834
4-bromo-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2590678
N-[(E)-(2-chloro-5-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 25169959
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 135958003
N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 6910107
1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine
CID 13212556
4-bromo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2692993
N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643075
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-methylaniline
CID 9014557

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide (CID 1001778) is N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide is COc1cc(Br)c(C=NNS(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is GWCUCCVYGPUGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4S/c1-21-14-8-11(13(16)9-15(14)22-2)10-17-18-23(19,20)12-6-4-3-5-7-12/h3-10,18H,1-2H3.
What are the key properties of N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide?
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 399.27 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 1001778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).