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

C17H14N2O4S — CID 135408455

IUPAC4-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N\c1ccc(S(N)(=O)=O)cc1)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C17H14N2O4S/c1-10(19-11-6-8-12(9-7-11)24(18,22)23)15-16(20)13-4-2-3-5-14(13)17(15)21/h2-9,20H,1H3,(H2,18,22,23)/b19-10+
InChIKeyKQNUGZLCJNTZMC-VXLYETTFSA-N
MW342.38 g/mol
LogP2.59
Rot. Bonds3

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

4-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]benzenesulfonamide (PubChem CID 135408455) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is 4-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]benzenesulfonamide
PubChem CID135408455
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name4-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N\c1ccc(S(N)(=O)=O)cc1)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C17H14N2O4S/c1-10(19-11-6-8-12(9-7-11)24(18,22)23)15-16(20)13-4-2-3-5-14(13)17(15)21/h2-9,20H,1H3,(H2,18,22,23)/b19-10+
InChIKeyKQNUGZLCJNTZMC-VXLYETTFSA-N
XLogP2.59
TPSA109.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.59
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'}

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Related Compounds

2-[N-(4-bromophenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
CID 135441617
2-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
CID 135401657
2-[N-(3-acetylphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
CID 135470599
4-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]benzenesulfonamide
CID 135456482
3-hydroxy-2-[C-methyl-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]inden-1-one
CID 135442008
2-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
CID 135488854
3-hydroxy-2-[C-methyl-N-(2-phenylsulfanylphenyl)carbonimidoyl]inden-1-one
CID 135537857
3-hydroxy-2-[C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]inden-1-one
CID 135498207
2-(C,N-diphenylcarbonimidoyl)-3-hydroxyinden-1-one
CID 135687056
3-hydroxy-2-[N-(3-hydroxypropyl)-C-methylcarbonimidoyl]inden-1-one
CID 135411342
N'-(4-sulfamoylphenyl)benzenecarboximidamide
CID 55159197
N,N'-bis(4-fluorophenyl)-1-hydroxy-3,4-dioxonaphthalene-2-carboximidamide
CID 137318007

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]benzenesulfonamide?
The IUPAC name of 4-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]benzenesulfonamide (CID 135408455) is 4-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]benzenesulfonamide is C/C(=N\c1ccc(S(N)(=O)=O)cc1)C1=C(O)c2ccccc2C1=O.
What is the InChIKey of 4-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]benzenesulfonamide?
The InChIKey is KQNUGZLCJNTZMC-VXLYETTFSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-10(19-11-6-8-12(9-7-11)24(18,22)23)15-16(20)13-4-2-3-5-14(13)17(15)21/h2-9,20H,1H3,(H2,18,22,23)/b19-10+.
What are the key properties of 4-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]benzenesulfonamide?
4-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]benzenesulfonamide has a molecular weight of 342.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 135408455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).