3-[(2,4-dihydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide

C16H14N2O5S — CID 57257956

IUPAC3-[(2,4-dihydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)C(=Cc1ccc(O)cc1O)C(=O)N2
InChIInChI=1S/C16H14N2O5S/c1-17-24(22,23)11-4-5-14-12(8-11)13(16(21)18-14)6-9-2-3-10(19)7-15(9)20/h2-8,17,19-20H,1H3,(H,18,21)
InChIKeyHIRKYEWJFUVKHK-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.50
Rot. Bonds3

About 3-[(2,4-dihydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide

3-[(2,4-dihydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide (PubChem CID 57257956) has the molecular formula C16H14N2O5S and a molecular weight of 346.36 g/mol. Its IUPAC name is 3-[(2,4-dihydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3-[(2,4-dihydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
PubChem CID57257956
Molecular FormulaC16H14N2O5S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC Name3-[(2,4-dihydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)C(=Cc1ccc(O)cc1O)C(=O)N2
InChIInChI=1S/C16H14N2O5S/c1-17-24(22,23)11-4-5-14-12(8-11)13(16(21)18-14)6-9-2-3-10(19)7-15(9)20/h2-8,17,19-20H,1H3,(H,18,21)
InChIKeyHIRKYEWJFUVKHK-UHFFFAOYSA-N
XLogP1.50
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chloro-4-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 56974894
3-[(5-hydroxy-2-nitrophenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 57075163
3-[(5-bromo-2-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 57169992
3-[[3-(chloromethyl)-2-hydroxy-5-nitrophenyl]methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 57170707
N-methyl-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indole-5-sulfonamide
CID 57148124
(3Z)-N-methyl-3-[(3-nitro-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 58779576
3-[(2-chloro-4-hydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57097083
N-methyl-3-[(5-nitrothiophen-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 56979807
(3E)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 69344265
N-hydroxy-2,4-dimethyl-5-[(E)-[5-(methylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
CID 25181823
3-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 56992497
(3E)-5-amino-3-[(2,5-dihydroxyphenyl)methylidene]-1H-indol-2-one
CID 143061968

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dihydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of 3-[(2,4-dihydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide (CID 57257956) is 3-[(2,4-dihydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for 3-[(2,4-dihydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for 3-[(2,4-dihydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)C(=Cc1ccc(O)cc1O)C(=O)N2.
What is the InChIKey of 3-[(2,4-dihydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is HIRKYEWJFUVKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5S/c1-17-24(22,23)11-4-5-14-12(8-11)13(16(21)18-14)6-9-2-3-10(19)7-15(9)20/h2-8,17,19-20H,1H3,(H,18,21).
What are the key properties of 3-[(2,4-dihydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide?
3-[(2,4-dihydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 346.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dihydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 57257956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).