4-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzenesulfonamide

C12H10BrN3O2S — CID 6907796

IUPAC4-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1ccncc1)c1ccc(Br)cc1
InChIInChI=1S/C12H10BrN3O2S/c13-11-1-3-12(4-2-11)19(17,18)16-15-9-10-5-7-14-8-6-10/h1-9,16H/b15-9+
InChIKeySDOBMNUNWUURLE-OQLLNIDSSA-N
MW340.20 g/mol
LogP2.16
Rot. Bonds4

About 4-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzenesulfonamide

4-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzenesulfonamide (PubChem CID 6907796) has the molecular formula C12H10BrN3O2S and a molecular weight of 340.20 g/mol. Its IUPAC name is 4-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzenesulfonamide
PubChem CID6907796
Molecular FormulaC12H10BrN3O2S
Molecular Weight340.20 g/mol
Exact Mass338.97
IUPAC Name4-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1ccncc1)c1ccc(Br)cc1
InChIInChI=1S/C12H10BrN3O2S/c13-11-1-3-12(4-2-11)19(17,18)16-15-9-10-5-7-14-8-6-10/h1-9,16H/b15-9+
InChIKeySDOBMNUNWUURLE-OQLLNIDSSA-N
XLogP2.16
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 52.16
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-bromo-N-(pyridin-4-ylmethylideneamino)benzenesulfonamide
CID 2590673
4-bromo-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzenesulfonamide
CID 5434258
4-bromo-N-[(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 1027931
4-bromo-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135752191
4-bromo-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]benzenesulfonamide
CID 6901556
4-bromo-N-[(3,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643274
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
4-bromo-N-[(2,3-dihydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2643270
N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-bromobenzenesulfonamide
CID 4237783
N-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide
CID 125114108
4-tert-butyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide
CID 6898358

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzenesulfonamide (CID 6907796) is 4-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzenesulfonamide is O=S(=O)(N/N=C/c1ccncc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzenesulfonamide?
The InChIKey is SDOBMNUNWUURLE-OQLLNIDSSA-N. The full InChI is InChI=1S/C12H10BrN3O2S/c13-11-1-3-12(4-2-11)19(17,18)16-15-9-10-5-7-14-8-6-10/h1-9,16H/b15-9+.
What are the key properties of 4-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzenesulfonamide?
4-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzenesulfonamide has a molecular weight of 340.20 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzenesulfonamide is sourced from PubChem (CID 6907796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).