4-[1-(5-chloro-2-oxo-1,3-dihydroindol-3-yl)ethylideneamino]benzenesulfonamide

C16H14ClN3O3S — CID 91895631

IUPAC4-[1-(5-chloro-2-oxo-1,3-dihydroindol-3-yl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N\c1ccc(S(N)(=O)=O)cc1)C1C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C16H14ClN3O3S/c1-9(19-11-3-5-12(6-4-11)24(18,22)23)15-13-8-10(17)2-7-14(13)20-16(15)21/h2-8,15H,1H3,(H,20,21)(H2,18,22,23)/b19-9+
InChIKeyZXRPXMCCGHLXQY-DJKKODMXSA-N
MW363.83 g/mol
LogP2.82
Rot. Bonds3

About 4-[1-(5-chloro-2-oxo-1,3-dihydroindol-3-yl)ethylideneamino]benzenesulfonamide

4-[1-(5-chloro-2-oxo-1,3-dihydroindol-3-yl)ethylideneamino]benzenesulfonamide (PubChem CID 91895631) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is 4-[1-(5-chloro-2-oxo-1,3-dihydroindol-3-yl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(5-chloro-2-oxo-1,3-dihydroindol-3-yl)ethylideneamino]benzenesulfonamide
PubChem CID91895631
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC Name4-[1-(5-chloro-2-oxo-1,3-dihydroindol-3-yl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N\c1ccc(S(N)(=O)=O)cc1)C1C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C16H14ClN3O3S/c1-9(19-11-3-5-12(6-4-11)24(18,22)23)15-13-8-10(17)2-7-14(13)20-16(15)21/h2-8,15H,1H3,(H,20,21)(H2,18,22,23)/b19-9+
InChIKeyZXRPXMCCGHLXQY-DJKKODMXSA-N
XLogP2.82
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[1-(5-chloro-2-oxo-1,3-dihydroindol-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-[1-(5-chloro-2-oxo-1,3-dihydroindol-3-yl)ethylideneamino]benzenesulfonamide?
The IUPAC name of 4-[1-(5-chloro-2-oxo-1,3-dihydroindol-3-yl)ethylideneamino]benzenesulfonamide (CID 91895631) is 4-[1-(5-chloro-2-oxo-1,3-dihydroindol-3-yl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[1-(5-chloro-2-oxo-1,3-dihydroindol-3-yl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[1-(5-chloro-2-oxo-1,3-dihydroindol-3-yl)ethylideneamino]benzenesulfonamide is C/C(=N\c1ccc(S(N)(=O)=O)cc1)C1C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of 4-[1-(5-chloro-2-oxo-1,3-dihydroindol-3-yl)ethylideneamino]benzenesulfonamide?
The InChIKey is ZXRPXMCCGHLXQY-DJKKODMXSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c1-9(19-11-3-5-12(6-4-11)24(18,22)23)15-13-8-10(17)2-7-14(13)20-16(15)21/h2-8,15H,1H3,(H,20,21)(H2,18,22,23)/b19-9+.
What are the key properties of 4-[1-(5-chloro-2-oxo-1,3-dihydroindol-3-yl)ethylideneamino]benzenesulfonamide?
4-[1-(5-chloro-2-oxo-1,3-dihydroindol-3-yl)ethylideneamino]benzenesulfonamide has a molecular weight of 363.83 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chloro-2-oxo-1,3-dihydroindol-3-yl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 91895631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).