3-[(5-hydroxy-2-nitrophenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide

C16H13N3O6S — CID 57075163

IUPAC3-[(5-hydroxy-2-nitrophenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)C(=Cc1cc(O)ccc1[N+](=O)[O-])C(=O)N2
InChIInChI=1S/C16H13N3O6S/c1-17-26(24,25)11-3-4-14-12(8-11)13(16(21)18-14)7-9-6-10(20)2-5-15(9)19(22)23/h2-8,17,20H,1H3,(H,18,21)
InChIKeyBNQIWNQOLLOQBM-UHFFFAOYSA-N
MW375.36 g/mol
LogP1.70
Rot. Bonds4

About 3-[(5-hydroxy-2-nitrophenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide

3-[(5-hydroxy-2-nitrophenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide (PubChem CID 57075163) has the molecular formula C16H13N3O6S and a molecular weight of 375.36 g/mol. Its IUPAC name is 3-[(5-hydroxy-2-nitrophenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3-[(5-hydroxy-2-nitrophenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
PubChem CID57075163
Molecular FormulaC16H13N3O6S
Molecular Weight375.36 g/mol
Exact Mass375.05
IUPAC Name3-[(5-hydroxy-2-nitrophenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)C(=Cc1cc(O)ccc1[N+](=O)[O-])C(=O)N2
InChIInChI=1S/C16H13N3O6S/c1-17-26(24,25)11-3-4-14-12(8-11)13(16(21)18-14)7-9-6-10(20)2-5-15(9)19(22)23/h2-8,17,20H,1H3,(H,18,21)
InChIKeyBNQIWNQOLLOQBM-UHFFFAOYSA-N
XLogP1.70
TPSA138.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-[(2,4-dihydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 57257956
3-[(2-chloro-4-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 56974894
(3Z)-N-methyl-3-[(3-nitro-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 58779576
3-[[3-(chloromethyl)-2-hydroxy-5-nitrophenyl]methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 57170707
3-[(5-bromo-2-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 57169992
N-methyl-3-[(5-nitrothiophen-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 56979807
N-methyl-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indole-5-sulfonamide
CID 57148124
N-hydroxy-2,4-dimethyl-5-[(E)-[5-(methylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
CID 25181823
(3E)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 69344265
3-[(2-hydroxy-5-nitrophenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57131963
3-[(2-chloro-4-hydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57097083
(3Z)-3-[[3,5-dimethyl-4-(1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbonyl)-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 89027682

Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydroxy-2-nitrophenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of 3-[(5-hydroxy-2-nitrophenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide (CID 57075163) is 3-[(5-hydroxy-2-nitrophenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for 3-[(5-hydroxy-2-nitrophenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for 3-[(5-hydroxy-2-nitrophenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)C(=Cc1cc(O)ccc1[N+](=O)[O-])C(=O)N2.
What is the InChIKey of 3-[(5-hydroxy-2-nitrophenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is BNQIWNQOLLOQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O6S/c1-17-26(24,25)11-3-4-14-12(8-11)13(16(21)18-14)7-9-6-10(20)2-5-15(9)19(22)23/h2-8,17,20H,1H3,(H,18,21).
What are the key properties of 3-[(5-hydroxy-2-nitrophenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide?
3-[(5-hydroxy-2-nitrophenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 375.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydroxy-2-nitrophenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 57075163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).