2,3,4,5,6-pentafluoro-N-(5-methoxy-7-methyl-2-oxo-1,3-dihydroindol-3-yl)benzenesulfonamide

C16H11F5N2O4S — CID 167948794

IUPAC2,3,4,5,6-pentafluoro-N-(5-methoxy-7-methyl-2-oxo-1,3-dihydroindol-3-yl)benzenesulfonamide
SMILESCOc1cc(C)c2c(c1)C(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)N2
InChIInChI=1S/C16H11F5N2O4S/c1-5-3-6(27-2)4-7-13(5)22-16(24)14(7)23-28(25,26)15-11(20)9(18)8(17)10(19)12(15)21/h3-4,14,23H,1-2H3,(H,22,24)
InChIKeyJXNKEIVFRFFHQZ-UHFFFAOYSA-N
MW422.33 g/mol
LogP2.67
Rot. Bonds4

About 2,3,4,5,6-pentafluoro-N-(5-methoxy-7-methyl-2-oxo-1,3-dihydroindol-3-yl)benzenesulfonamide

2,3,4,5,6-pentafluoro-N-(5-methoxy-7-methyl-2-oxo-1,3-dihydroindol-3-yl)benzenesulfonamide (PubChem CID 167948794) has the molecular formula C16H11F5N2O4S and a molecular weight of 422.33 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(5-methoxy-7-methyl-2-oxo-1,3-dihydroindol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(5-methoxy-7-methyl-2-oxo-1,3-dihydroindol-3-yl)benzenesulfonamide
PubChem CID167948794
Molecular FormulaC16H11F5N2O4S
Molecular Weight422.33 g/mol
Exact Mass422.04
IUPAC Name2,3,4,5,6-pentafluoro-N-(5-methoxy-7-methyl-2-oxo-1,3-dihydroindol-3-yl)benzenesulfonamide
SMILESCOc1cc(C)c2c(c1)C(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)N2
InChIInChI=1S/C16H11F5N2O4S/c1-5-3-6(27-2)4-7-13(5)22-16(24)14(7)23-28(25,26)15-11(20)9(18)8(17)10(19)12(15)21/h3-4,14,23H,1-2H3,(H,22,24)
InChIKeyJXNKEIVFRFFHQZ-UHFFFAOYSA-N
XLogP2.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4,5,6-pentafluoro-N-(5-methoxy-7-methyl-2-oxo-1,3-dihydroindol-3-yl)benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

5-methoxy-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
CID 134935807
6-methoxy-8-methyl-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 84623530
5-fluoro-7-methyl-3-(propylamino)-1,3-dihydroindol-2-one
CID 82236748
4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 167945506
5,7-dimethyl-3-(propan-2-ylamino)-1,3-dihydroindol-2-one
CID 82235316
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 125048908
4-methoxy-2,6-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 47173285
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 100770415
2-(2-fluoro-5-methoxy-3-methylphenyl)morpholine
CID 84790102
3-(1-cyclopropylethylamino)-5,7-dimethyl-1,3-dihydroindol-2-one
CID 114994354
3-(3,5-dimethoxyanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43824323
N-(6-chloropyrazin-2-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 104821123

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-(5-methoxy-7-methyl-2-oxo-1,3-dihydroindol-3-yl)benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(5-methoxy-7-methyl-2-oxo-1,3-dihydroindol-3-yl)benzenesulfonamide (CID 167948794) is 2,3,4,5,6-pentafluoro-N-(5-methoxy-7-methyl-2-oxo-1,3-dihydroindol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(5-methoxy-7-methyl-2-oxo-1,3-dihydroindol-3-yl)benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(5-methoxy-7-methyl-2-oxo-1,3-dihydroindol-3-yl)benzenesulfonamide is COc1cc(C)c2c(c1)C(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)N2.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(5-methoxy-7-methyl-2-oxo-1,3-dihydroindol-3-yl)benzenesulfonamide?
The InChIKey is JXNKEIVFRFFHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N2O4S/c1-5-3-6(27-2)4-7-13(5)22-16(24)14(7)23-28(25,26)15-11(20)9(18)8(17)10(19)12(15)21/h3-4,14,23H,1-2H3,(H,22,24).
What are the key properties of 2,3,4,5,6-pentafluoro-N-(5-methoxy-7-methyl-2-oxo-1,3-dihydroindol-3-yl)benzenesulfonamide?
2,3,4,5,6-pentafluoro-N-(5-methoxy-7-methyl-2-oxo-1,3-dihydroindol-3-yl)benzenesulfonamide has a molecular weight of 422.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-(5-methoxy-7-methyl-2-oxo-1,3-dihydroindol-3-yl)benzenesulfonamide is sourced from PubChem (CID 167948794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).