4-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]benzenesulfonamide

C16H12N2O4S — CID 135456482

IUPAC4-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/C2=C(O)c3ccccc3C2=O)cc1
InChIInChI=1S/C16H12N2O4S/c17-23(21,22)11-7-5-10(6-8-11)18-9-14-15(19)12-3-1-2-4-13(12)16(14)20/h1-9,19H,(H2,17,21,22)/b18-9+
InChIKeyUUMCKCDORAVKRP-GIJQJNRQSA-N
MW328.35 g/mol
LogP2.20
Rot. Bonds3

About 4-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]benzenesulfonamide

4-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]benzenesulfonamide (PubChem CID 135456482) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is 4-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]benzenesulfonamide
PubChem CID135456482
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC Name4-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/C2=C(O)c3ccccc3C2=O)cc1
InChIInChI=1S/C16H12N2O4S/c17-23(21,22)11-7-5-10(6-8-11)18-9-14-15(19)12-3-1-2-4-13(12)16(14)20/h1-9,19H,(H2,17,21,22)/b18-9+
InChIKeyUUMCKCDORAVKRP-GIJQJNRQSA-N
XLogP2.20
TPSA109.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

3-hydroxy-2-[(4-nitrophenyl)iminomethyl]inden-1-one
CID 135403431
2-[[3-(benzylideneamino)phenyl]iminomethyl]-3-hydroxyinden-1-one
CID 170908147
4-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]benzenesulfonamide
CID 135408455
2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxyinden-1-one
CID 135427639
3-hydroxy-2-(1,3-thiazol-2-yliminomethyl)inden-1-one
CID 135476333
3-[4-[4-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]phenyl]phenyl]-2-methylquinazolin-4-one
CID 135455051
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 3272383
4-(thiophen-2-ylmethylideneamino)benzenesulfonamide
CID 710286
4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 25041425
2-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]-6-methylbenzoic acid
CID 135470507
3-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]propanoic acid
CID 135516249
4-(pyridin-3-ylmethylideneamino)benzenesulfonamide
CID 10659069

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]benzenesulfonamide (CID 135456482) is 4-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/C2=C(O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]benzenesulfonamide?
The InChIKey is UUMCKCDORAVKRP-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H12N2O4S/c17-23(21,22)11-7-5-10(6-8-11)18-9-14-15(19)12-3-1-2-4-13(12)16(14)20/h1-9,19H,(H2,17,21,22)/b18-9+.
What are the key properties of 4-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]benzenesulfonamide?
4-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]benzenesulfonamide has a molecular weight of 328.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 135456482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).