4-[2-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]ethyl]benzenesulfonamide

C16H14BrN3O3S — CID 135530880

IUPAC4-[2-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC/N=C2\C(=O)Nc3ccc(Br)cc32)cc1
InChIInChI=1S/C16H14BrN3O3S/c17-11-3-6-14-13(9-11)15(16(21)20-14)19-8-7-10-1-4-12(5-2-10)24(18,22)23/h1-6,9H,7-8H2,(H2,18,22,23)(H,19,20,21)
InChIKeyGKOGIEQVZKHPPF-UHFFFAOYSA-N
MW408.28 g/mol
LogP2.08
Rot. Bonds4

About 4-[2-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]ethyl]benzenesulfonamide

4-[2-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]ethyl]benzenesulfonamide (PubChem CID 135530880) has the molecular formula C16H14BrN3O3S and a molecular weight of 408.28 g/mol. Its IUPAC name is 4-[2-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]ethyl]benzenesulfonamide
PubChem CID135530880
Molecular FormulaC16H14BrN3O3S
Molecular Weight408.28 g/mol
Exact Mass406.99
IUPAC Name4-[2-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC/N=C2\C(=O)Nc3ccc(Br)cc32)cc1
InChIInChI=1S/C16H14BrN3O3S/c17-11-3-6-14-13(9-11)15(16(21)20-14)19-8-7-10-1-4-12(5-2-10)24(18,22)23/h1-6,9H,7-8H2,(H2,18,22,23)(H,19,20,21)
InChIKeyGKOGIEQVZKHPPF-UHFFFAOYSA-N
XLogP2.08
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]ethyl]benzenesulfonamide (CID 135530880) is 4-[2-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CC/N=C2\C(=O)Nc3ccc(Br)cc32)cc1.
What is the InChIKey of 4-[2-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]ethyl]benzenesulfonamide?
The InChIKey is GKOGIEQVZKHPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O3S/c17-11-3-6-14-13(9-11)15(16(21)20-14)19-8-7-10-1-4-12(5-2-10)24(18,22)23/h1-6,9H,7-8H2,(H2,18,22,23)(H,19,20,21).
What are the key properties of 4-[2-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]ethyl]benzenesulfonamide?
4-[2-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]ethyl]benzenesulfonamide has a molecular weight of 408.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 135530880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).