N-methyl-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indole-5-sulfonamide

C14H12N2O3S2 — CID 57148124

IUPACN-methyl-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)C(=Cc1cccs1)C(=O)N2
InChIInChI=1S/C14H12N2O3S2/c1-15-21(18,19)10-4-5-13-11(8-10)12(14(17)16-13)7-9-3-2-6-20-9/h2-8,15H,1H3,(H,16,17)
InChIKeyCUUSDIZIYOQEPR-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.15
Rot. Bonds3

About N-methyl-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indole-5-sulfonamide

N-methyl-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indole-5-sulfonamide (PubChem CID 57148124) has the molecular formula C14H12N2O3S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-methyl-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indole-5-sulfonamide
PubChem CID57148124
Molecular FormulaC14H12N2O3S2
Molecular Weight320.40 g/mol
Exact Mass320.03
IUPAC NameN-methyl-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)C(=Cc1cccs1)C(=O)N2
InChIInChI=1S/C14H12N2O3S2/c1-15-21(18,19)10-4-5-13-11(8-10)12(14(17)16-13)7-9-3-2-6-20-9/h2-8,15H,1H3,(H,16,17)
InChIKeyCUUSDIZIYOQEPR-UHFFFAOYSA-N
XLogP2.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-(thiophen-2-ylmethylidene)-1H-indol-2-one
CID 3431448
N-methyl-3-[(5-nitrothiophen-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 56979807
4-nitro-N-[(3E)-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indol-5-yl]benzenesulfonamide
CID 166485129
(3E)-5-nitro-3-(thiophen-2-ylmethylidene)-1H-indol-2-one
CID 22394616
3-[(2-chloro-4-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 56974894
3-[(2,4-dihydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 57257956
(3E)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 69344265
3-[(5-bromo-2-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 57169992
(3Z)-N-methyl-3-[(3-nitro-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 58779576
5-(2-chloroethyl)-3-(thiophen-2-ylmethylidene)-1H-indol-2-one
CID 57112017
(3E)-6-chloro-3-(thiophen-2-ylmethylidene)-1H-indol-2-one
CID 963022
1-(4-methylsulfanylphenyl)-3-[(3Z)-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indol-5-yl]urea
CID 127037282

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indole-5-sulfonamide?
The IUPAC name of N-methyl-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indole-5-sulfonamide (CID 57148124) is N-methyl-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indole-5-sulfonamide.
What is the SMILES notation for N-methyl-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indole-5-sulfonamide?
The canonical SMILES for N-methyl-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)C(=Cc1cccs1)C(=O)N2.
What is the InChIKey of N-methyl-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indole-5-sulfonamide?
The InChIKey is CUUSDIZIYOQEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S2/c1-15-21(18,19)10-4-5-13-11(8-10)12(14(17)16-13)7-9-3-2-6-20-9/h2-8,15H,1H3,(H,16,17).
What are the key properties of N-methyl-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indole-5-sulfonamide?
N-methyl-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indole-5-sulfonamide has a molecular weight of 320.40 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indole-5-sulfonamide is sourced from PubChem (CID 57148124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).