N-[(3Z)-3-ethylidene-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide

C17H16N2O4S — CID 162657414

IUPACN-[(3Z)-3-ethylidene-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide
SMILESC/C=C1\C(=O)Nc2ccc(NS(=O)(=O)c3ccccc3OC)cc21
InChIInChI=1S/C17H16N2O4S/c1-3-12-13-10-11(8-9-14(13)18-17(12)20)19-24(21,22)16-7-5-4-6-15(16)23-2/h3-10,19H,1-2H3,(H,18,20)/b12-3-
InChIKeyGEPNSYPJUGLYHO-BASWHVEKSA-N
MW344.39 g/mol
LogP2.85
Rot. Bonds4

About N-[(3Z)-3-ethylidene-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide

N-[(3Z)-3-ethylidene-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide (PubChem CID 162657414) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[(3Z)-3-ethylidene-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(3Z)-3-ethylidene-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide
PubChem CID162657414
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-[(3Z)-3-ethylidene-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide
SMILESC/C=C1\C(=O)Nc2ccc(NS(=O)(=O)c3ccccc3OC)cc21
InChIInChI=1S/C17H16N2O4S/c1-3-12-13-10-11(8-9-14(13)18-17(12)20)19-24(21,22)16-7-5-4-6-15(16)23-2/h3-10,19H,1-2H3,(H,18,20)/b12-3-
InChIKeyGEPNSYPJUGLYHO-BASWHVEKSA-N
XLogP2.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.85
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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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-ethylidene-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[(3Z)-3-ethylidene-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide (CID 162657414) is N-[(3Z)-3-ethylidene-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(3Z)-3-ethylidene-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[(3Z)-3-ethylidene-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide is C/C=C1\C(=O)Nc2ccc(NS(=O)(=O)c3ccccc3OC)cc21.
What is the InChIKey of N-[(3Z)-3-ethylidene-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide?
The InChIKey is GEPNSYPJUGLYHO-BASWHVEKSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-3-12-13-10-11(8-9-14(13)18-17(12)20)19-24(21,22)16-7-5-4-6-15(16)23-2/h3-10,19H,1-2H3,(H,18,20)/b12-3-.
What are the key properties of N-[(3Z)-3-ethylidene-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide?
N-[(3Z)-3-ethylidene-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide has a molecular weight of 344.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-ethylidene-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 162657414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).