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

C14H11N3O5S2 — CID 56979807

IUPACN-methyl-3-[(5-nitrothiophen-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)C(=Cc1ccc([N+](=O)[O-])s1)C(=O)N2
InChIInChI=1S/C14H11N3O5S2/c1-15-24(21,22)9-3-4-12-10(7-9)11(14(18)16-12)6-8-2-5-13(23-8)17(19)20/h2-7,15H,1H3,(H,16,18)
InChIKeyNADGCDLJCKAFAW-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.06
Rot. Bonds4

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

N-methyl-3-[(5-nitrothiophen-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide (PubChem CID 56979807) has the molecular formula C14H11N3O5S2 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-methyl-3-[(5-nitrothiophen-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-3-[(5-nitrothiophen-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
PubChem CID56979807
Molecular FormulaC14H11N3O5S2
Molecular Weight365.39 g/mol
Exact Mass365.01
IUPAC NameN-methyl-3-[(5-nitrothiophen-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)C(=Cc1ccc([N+](=O)[O-])s1)C(=O)N2
InChIInChI=1S/C14H11N3O5S2/c1-15-24(21,22)9-3-4-12-10(7-9)11(14(18)16-12)6-8-2-5-13(23-8)17(19)20/h2-7,15H,1H3,(H,16,18)
InChIKeyNADGCDLJCKAFAW-UHFFFAOYSA-N
XLogP2.06
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
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'}

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Related Compounds

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
(3Z)-3-[(5-nitrothiophen-2-yl)methylidene]-1H-indol-2-one
CID 74982383
3-[(5-hydroxy-2-nitrophenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 57075163
3-[[3-(chloromethyl)-2-hydroxy-5-nitrophenyl]methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 57170707
3-[(2,4-dihydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 57257956
3-[(5-bromo-2-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 57169992
3-[(2-chloro-4-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 56974894
(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-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 163900307
4-nitro-N-[(3E)-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indol-5-yl]benzenesulfonamide
CID 166485129

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(5-nitrothiophen-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of N-methyl-3-[(5-nitrothiophen-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide (CID 56979807) is N-methyl-3-[(5-nitrothiophen-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for N-methyl-3-[(5-nitrothiophen-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for N-methyl-3-[(5-nitrothiophen-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)C(=Cc1ccc([N+](=O)[O-])s1)C(=O)N2.
What is the InChIKey of N-methyl-3-[(5-nitrothiophen-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is NADGCDLJCKAFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O5S2/c1-15-24(21,22)9-3-4-12-10(7-9)11(14(18)16-12)6-8-2-5-13(23-8)17(19)20/h2-7,15H,1H3,(H,16,18).
What are the key properties of N-methyl-3-[(5-nitrothiophen-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
N-methyl-3-[(5-nitrothiophen-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 365.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(5-nitrothiophen-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 56979807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).