N-[(E)-benzylideneamino]-4-bromobenzenesulfonamide

C13H11BrN2O2S — CID 6873898

IUPACN-[(E)-benzylideneamino]-4-bromobenzenesulfonamide
SMILESO=S(=O)(N/N=C/c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C13H11BrN2O2S/c14-12-6-8-13(9-7-12)19(17,18)16-15-10-11-4-2-1-3-5-11/h1-10,16H/b15-10+
InChIKeyYUQOKLGKZXNCDK-XNTDXEJSSA-N
MW339.21 g/mol
LogP2.76
Rot. Bonds4

About N-[(E)-benzylideneamino]-4-bromobenzenesulfonamide

N-[(E)-benzylideneamino]-4-bromobenzenesulfonamide (PubChem CID 6873898) has the molecular formula C13H11BrN2O2S and a molecular weight of 339.21 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-4-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-4-bromobenzenesulfonamide
PubChem CID6873898
Molecular FormulaC13H11BrN2O2S
Molecular Weight339.21 g/mol
Exact Mass337.97
IUPAC NameN-[(E)-benzylideneamino]-4-bromobenzenesulfonamide
SMILESO=S(=O)(N/N=C/c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C13H11BrN2O2S/c14-12-6-8-13(9-7-12)19(17,18)16-15-10-11-4-2-1-3-5-11/h1-10,16H/b15-10+
InChIKeyYUQOKLGKZXNCDK-XNTDXEJSSA-N
XLogP2.76
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 52.76
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-4-bromobenzenesulfonamide?
The IUPAC name of N-[(E)-benzylideneamino]-4-bromobenzenesulfonamide (CID 6873898) is N-[(E)-benzylideneamino]-4-bromobenzenesulfonamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-4-bromobenzenesulfonamide?
The canonical SMILES for N-[(E)-benzylideneamino]-4-bromobenzenesulfonamide is O=S(=O)(N/N=C/c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-[(E)-benzylideneamino]-4-bromobenzenesulfonamide?
The InChIKey is YUQOKLGKZXNCDK-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H11BrN2O2S/c14-12-6-8-13(9-7-12)19(17,18)16-15-10-11-4-2-1-3-5-11/h1-10,16H/b15-10+.
What are the key properties of N-[(E)-benzylideneamino]-4-bromobenzenesulfonamide?
N-[(E)-benzylideneamino]-4-bromobenzenesulfonamide has a molecular weight of 339.21 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-4-bromobenzenesulfonamide is sourced from PubChem (CID 6873898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).