4-bromo-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide

C16H14BrN3O2S — CID 135735429

IUPAC4-bromo-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(Br)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H14BrN3O2S/c1-11(15-10-18-16-5-3-2-4-14(15)16)19-20-23(21,22)13-8-6-12(17)7-9-13/h2-10,18,20H,1H3/b19-11-
InChIKeyIGIRJKJCEDNZIA-ODLFYWEKSA-N
MW392.28 g/mol
LogP3.63
Rot. Bonds4

About 4-bromo-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide

4-bromo-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide (PubChem CID 135735429) has the molecular formula C16H14BrN3O2S and a molecular weight of 392.28 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide
PubChem CID135735429
Molecular FormulaC16H14BrN3O2S
Molecular Weight392.28 g/mol
Exact Mass391.00
IUPAC Name4-bromo-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(Br)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H14BrN3O2S/c1-11(15-10-18-16-5-3-2-4-14(15)16)19-20-23(21,22)13-8-6-12(17)7-9-13/h2-10,18,20H,1H3/b19-11-
InChIKeyIGIRJKJCEDNZIA-ODLFYWEKSA-N
XLogP3.63
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 53.63
H-Bond Donors ≤ 52
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'}

Analyze 4-bromo-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide (CID 135735429) is 4-bromo-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide is C/C(=N/NS(=O)(=O)c1ccc(Br)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 4-bromo-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide?
The InChIKey is IGIRJKJCEDNZIA-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H14BrN3O2S/c1-11(15-10-18-16-5-3-2-4-14(15)16)19-20-23(21,22)13-8-6-12(17)7-9-13/h2-10,18,20H,1H3/b19-11-.
What are the key properties of 4-bromo-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide?
4-bromo-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide has a molecular weight of 392.28 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 135735429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).