(3E)-2-oxo-N-(1-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide

C22H19N3O3S — CID 25182216

IUPAC(3E)-2-oxo-N-(1-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)/C(=C\c1cccnc1)C(=O)N2)c1ccccc1
InChIInChI=1S/C22H19N3O3S/c1-15(17-7-3-2-4-8-17)25-29(27,28)18-9-10-21-19(13-18)20(22(26)24-21)12-16-6-5-11-23-14-16/h2-15,25H,1H3,(H,24,26)/b20-12+
InChIKeyBLWBXDILWJGNOV-UDWIEESQSA-N
MW405.48 g/mol
LogP3.61
Rot. Bonds5

About (3E)-2-oxo-N-(1-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide

(3E)-2-oxo-N-(1-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide (PubChem CID 25182216) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is (3E)-2-oxo-N-(1-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3E)-2-oxo-N-(1-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide
PubChem CID25182216
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name(3E)-2-oxo-N-(1-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)/C(=C\c1cccnc1)C(=O)N2)c1ccccc1
InChIInChI=1S/C22H19N3O3S/c1-15(17-7-3-2-4-8-17)25-29(27,28)18-9-10-21-19(13-18)20(22(26)24-21)12-16-6-5-11-23-14-16/h2-15,25H,1H3,(H,24,26)/b20-12+
InChIKeyBLWBXDILWJGNOV-UDWIEESQSA-N
XLogP3.61
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.61
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

(3Z)-2-oxo-N-(2-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide
CID 163860881
(3E)-N-(3-methylphenyl)-2-oxo-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide
CID 25182217
2,4-dimethyl-5-[(Z)-[2-oxo-5-(pyridin-3-ylsulfamoyl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid
CID 68792717
(3Z)-3-[[2-(methoxymethoxy)phenyl]methylidene]-2-oxo-N-propan-2-yl-1H-indole-5-sulfonamide
CID 89263089
(3E)-3-[(3-pyridin-3-ylphenyl)methylidene]-1H-indol-2-one
CID 166225937
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 81258843
3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111104
4-amino-3-chloro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 115329699
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
2-oxo-3-[(3-phenoxyphenyl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57193715
N-(1-pyridin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide
CID 110724502

Frequently Asked Questions

What is the IUPAC name of (3E)-2-oxo-N-(1-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide?
The IUPAC name of (3E)-2-oxo-N-(1-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide (CID 25182216) is (3E)-2-oxo-N-(1-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide.
What is the SMILES notation for (3E)-2-oxo-N-(1-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide?
The canonical SMILES for (3E)-2-oxo-N-(1-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide is CC(NS(=O)(=O)c1ccc2c(c1)/C(=C\c1cccnc1)C(=O)N2)c1ccccc1.
What is the InChIKey of (3E)-2-oxo-N-(1-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide?
The InChIKey is BLWBXDILWJGNOV-UDWIEESQSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-15(17-7-3-2-4-8-17)25-29(27,28)18-9-10-21-19(13-18)20(22(26)24-21)12-16-6-5-11-23-14-16/h2-15,25H,1H3,(H,24,26)/b20-12+.
What are the key properties of (3E)-2-oxo-N-(1-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide?
(3E)-2-oxo-N-(1-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide has a molecular weight of 405.48 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-oxo-N-(1-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide is sourced from PubChem (CID 25182216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).