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

C22H19N3O3S — CID 163860881

IUPAC(3Z)-2-oxo-N-(2-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2/C1=C/c1cccnc1
InChIInChI=1S/C22H19N3O3S/c26-22-20(13-17-7-4-11-23-15-17)19-14-18(8-9-21(19)25-22)29(27,28)24-12-10-16-5-2-1-3-6-16/h1-9,11,13-15,24H,10,12H2,(H,25,26)/b20-13-
InChIKeyPCJXYVVLJROWGZ-MOSHPQCFSA-N
MW405.48 g/mol
LogP3.10
Rot. Bonds6

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

(3Z)-2-oxo-N-(2-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide (PubChem CID 163860881) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is (3Z)-2-oxo-N-(2-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3Z)-2-oxo-N-(2-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide
PubChem CID163860881
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name(3Z)-2-oxo-N-(2-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2/C1=C/c1cccnc1
InChIInChI=1S/C22H19N3O3S/c26-22-20(13-17-7-4-11-23-15-17)19-14-18(8-9-21(19)25-22)29(27,28)24-12-10-16-5-2-1-3-6-16/h1-9,11,13-15,24H,10,12H2,(H,25,26)/b20-13-
InChIKeyPCJXYVVLJROWGZ-MOSHPQCFSA-N
XLogP3.10
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.10
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

(3E)-2-oxo-N-(1-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide
CID 25182216
(3E)-N-(3-methylphenyl)-2-oxo-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide
CID 25182217
3-cyclopentylidene-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide
CID 50759991
2,4-dimethyl-5-[(Z)-[2-oxo-5-(pyridin-3-ylsulfamoyl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid
CID 68792717
(3E)-3-[(3-pyridin-3-ylphenyl)methylidene]-1H-indol-2-one
CID 166225937
(3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide
CID 9186065
N-(2-aminoethyl)-6-oxo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide
CID 623791
4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066
3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729110
2,3-dioxo-N-(pyridin-4-ylmethyl)-1H-indole-5-sulfonamide
CID 59763032
3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide
CID 55560053
3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60895708

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-oxo-N-(2-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide?
The IUPAC name of (3Z)-2-oxo-N-(2-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide (CID 163860881) is (3Z)-2-oxo-N-(2-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide.
What is the SMILES notation for (3Z)-2-oxo-N-(2-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide?
The canonical SMILES for (3Z)-2-oxo-N-(2-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide is O=C1Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2/C1=C/c1cccnc1.
What is the InChIKey of (3Z)-2-oxo-N-(2-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide?
The InChIKey is PCJXYVVLJROWGZ-MOSHPQCFSA-N. The full InChI is InChI=1S/C22H19N3O3S/c26-22-20(13-17-7-4-11-23-15-17)19-14-18(8-9-21(19)25-22)29(27,28)24-12-10-16-5-2-1-3-6-16/h1-9,11,13-15,24H,10,12H2,(H,25,26)/b20-13-.
What are the key properties of (3Z)-2-oxo-N-(2-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide?
(3Z)-2-oxo-N-(2-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide has a molecular weight of 405.48 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-oxo-N-(2-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide is sourced from PubChem (CID 163860881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).