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

C14H10N4O5S — CID 135537166

IUPAC4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1
InChIInChI=1S/C14H10N4O5S/c15-24(22,23)10-4-1-8(2-5-10)16-13-11-7-9(18(20)21)3-6-12(11)17-14(13)19/h1-7H,(H2,15,22,23)(H,16,17,19)
InChIKeyMFEYEMJHPUUNEY-UHFFFAOYSA-N
MW346.32 g/mol
LogP1.32
Rot. Bonds3

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

4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide (PubChem CID 135537166) has the molecular formula C14H10N4O5S and a molecular weight of 346.32 g/mol. Its IUPAC name is 4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
PubChem CID135537166
Molecular FormulaC14H10N4O5S
Molecular Weight346.32 g/mol
Exact Mass346.04
IUPAC Name4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1
InChIInChI=1S/C14H10N4O5S/c15-24(22,23)10-4-1-8(2-5-10)16-13-11-7-9(18(20)21)3-6-12(11)17-14(13)19/h1-7H,(H2,15,22,23)(H,16,17,19)
InChIKeyMFEYEMJHPUUNEY-UHFFFAOYSA-N
XLogP1.32
TPSA144.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]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-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide?
The IUPAC name of 4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide (CID 135537166) is 4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide?
The canonical SMILES for 4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1.
What is the InChIKey of 4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide?
The InChIKey is MFEYEMJHPUUNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O5S/c15-24(22,23)10-4-1-8(2-5-10)16-13-11-7-9(18(20)21)3-6-12(11)17-14(13)19/h1-7H,(H2,15,22,23)(H,16,17,19).
What are the key properties of 4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide?
4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide has a molecular weight of 346.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide is sourced from PubChem (CID 135537166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).