4-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide

C13H13BrN2O3S — CID 5434332

IUPAC4-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(Br)cc1)c1ccc(C)o1
InChIInChI=1S/C13H13BrN2O3S/c1-9-3-8-13(19-9)10(2)15-16-20(17,18)12-6-4-11(14)5-7-12/h3-8,16H,1-2H3/b15-10-
InChIKeyYVMUNLUGUHHHLV-GDNBJRDFSA-N
MW357.23 g/mol
LogP3.05
Rot. Bonds4

About 4-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide

4-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide (PubChem CID 5434332) has the molecular formula C13H13BrN2O3S and a molecular weight of 357.23 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide
PubChem CID5434332
Molecular FormulaC13H13BrN2O3S
Molecular Weight357.23 g/mol
Exact Mass355.98
IUPAC Name4-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(Br)cc1)c1ccc(C)o1
InChIInChI=1S/C13H13BrN2O3S/c1-9-3-8-13(19-9)10(2)15-16-20(17,18)12-6-4-11(14)5-7-12/h3-8,16H,1-2H3/b15-10-
InChIKeyYVMUNLUGUHHHLV-GDNBJRDFSA-N
XLogP3.05
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 53.05
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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide (CID 5434332) is 4-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide is C/C(=N/NS(=O)(=O)c1ccc(Br)cc1)c1ccc(C)o1.
What is the InChIKey of 4-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide?
The InChIKey is YVMUNLUGUHHHLV-GDNBJRDFSA-N. The full InChI is InChI=1S/C13H13BrN2O3S/c1-9-3-8-13(19-9)10(2)15-16-20(17,18)12-6-4-11(14)5-7-12/h3-8,16H,1-2H3/b15-10-.
What are the key properties of 4-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide?
4-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide has a molecular weight of 357.23 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 5434332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).