4-bromo-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzenesulfonamide

C13H9BrCl2N2O2S — CID 5434258

IUPAC4-bromo-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C\c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrCl2N2O2S/c14-10-2-4-11(5-3-10)21(19,20)18-17-8-9-1-6-12(15)13(16)7-9/h1-8,18H/b17-8-
InChIKeyKDGJYZVEUXIQAK-IUXPMGMMSA-N
MW408.10 g/mol
LogP4.07
Rot. Bonds4

About 4-bromo-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzenesulfonamide

4-bromo-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzenesulfonamide (PubChem CID 5434258) has the molecular formula C13H9BrCl2N2O2S and a molecular weight of 408.10 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzenesulfonamide
PubChem CID5434258
Molecular FormulaC13H9BrCl2N2O2S
Molecular Weight408.10 g/mol
Exact Mass405.89
IUPAC Name4-bromo-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C\c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrCl2N2O2S/c14-10-2-4-11(5-3-10)21(19,20)18-17-8-9-1-6-12(15)13(16)7-9/h1-8,18H/b17-8-
InChIKeyKDGJYZVEUXIQAK-IUXPMGMMSA-N
XLogP4.07
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.10
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-bromo-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135752191
4-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzenesulfonamide
CID 6907796
4-bromo-N-(pyridin-4-ylmethylideneamino)benzenesulfonamide
CID 2590673
4-bromo-N-[(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 1027931
4-bromo-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]benzenesulfonamide
CID 6901556
4-bromo-N-[(3,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643274
4-bromo-N-[(E)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]benzenesulfonamide
CID 136789494
N-[(E)-(3-chloro-4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6872847
4-bromo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2692993
N-[(Z)-(3-amino-5,6-dichloropyrazin-2-yl)methylideneamino]-4-bromobenzenesulfonamide
CID 88724312
3,4-dichloro-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516135
4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide
CID 5414863

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzenesulfonamide (CID 5434258) is 4-bromo-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzenesulfonamide is O=S(=O)(N/N=C\c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzenesulfonamide?
The InChIKey is KDGJYZVEUXIQAK-IUXPMGMMSA-N. The full InChI is InChI=1S/C13H9BrCl2N2O2S/c14-10-2-4-11(5-3-10)21(19,20)18-17-8-9-1-6-12(15)13(16)7-9/h1-8,18H/b17-8-.
What are the key properties of 4-bromo-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzenesulfonamide?
4-bromo-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzenesulfonamide has a molecular weight of 408.10 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 5434258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).