N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-nitrobenzenesulfonamide

C16H14N4O4S — CID 135735438

IUPACN-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-nitrobenzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H14N4O4S/c1-11(15-10-17-16-5-3-2-4-14(15)16)18-19-25(23,24)13-8-6-12(7-9-13)20(21)22/h2-10,17,19H,1H3/b18-11+
InChIKeyQNARWJRYSNURCJ-WOJGMQOQSA-N
MW358.38 g/mol
LogP2.78
Rot. Bonds5

About N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-nitrobenzenesulfonamide

N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-nitrobenzenesulfonamide (PubChem CID 135735438) has the molecular formula C16H14N4O4S and a molecular weight of 358.38 g/mol. Its IUPAC name is N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-nitrobenzenesulfonamide
PubChem CID135735438
Molecular FormulaC16H14N4O4S
Molecular Weight358.38 g/mol
Exact Mass358.07
IUPAC NameN-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-nitrobenzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H14N4O4S/c1-11(15-10-17-16-5-3-2-4-14(15)16)18-19-25(23,24)13-8-6-12(7-9-13)20(21)22/h2-10,17,19H,1H3/b18-11+
InChIKeyQNARWJRYSNURCJ-WOJGMQOQSA-N
XLogP2.78
TPSA117.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-nitrobenzenesulfonamide 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 N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-nitrobenzenesulfonamide?
The IUPAC name of N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-nitrobenzenesulfonamide (CID 135735438) is N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-nitrobenzenesulfonamide is C/C(=N\NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-nitrobenzenesulfonamide?
The InChIKey is QNARWJRYSNURCJ-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H14N4O4S/c1-11(15-10-17-16-5-3-2-4-14(15)16)18-19-25(23,24)13-8-6-12(7-9-13)20(21)22/h2-10,17,19H,1H3/b18-11+.
What are the key properties of N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-nitrobenzenesulfonamide?
N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-nitrobenzenesulfonamide has a molecular weight of 358.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 135735438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).