sodium;hydride;2,3,4,5,6-pentafluoro-N-(2-hydroxy-3-methoxyphenyl)benzenesulfonamide

C13H9F5NNaO4S — CID 173238277

IUPACsodium;hydride;2,3,4,5,6-pentafluoro-N-(2-hydroxy-3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1O.[H-].[Na+]
InChIInChI=1S/C13H8F5NO4S.Na.H/c1-23-6-4-2-3-5(12(6)20)19-24(21,22)13-10(17)8(15)7(14)9(16)11(13)18;;/h2-4,19-20H,1H3;;/q;+1;-1
InChIKeyWRWAATJRYKNWIJ-UHFFFAOYSA-N
MW393.27 g/mol
LogP0.01
Rot. Bonds4

About sodium;hydride;2,3,4,5,6-pentafluoro-N-(2-hydroxy-3-methoxyphenyl)benzenesulfonamide

sodium;hydride;2,3,4,5,6-pentafluoro-N-(2-hydroxy-3-methoxyphenyl)benzenesulfonamide (PubChem CID 173238277) has the molecular formula C13H9F5NNaO4S and a molecular weight of 393.27 g/mol. Its IUPAC name is sodium;hydride;2,3,4,5,6-pentafluoro-N-(2-hydroxy-3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Namesodium;hydride;2,3,4,5,6-pentafluoro-N-(2-hydroxy-3-methoxyphenyl)benzenesulfonamide
PubChem CID173238277
Molecular FormulaC13H9F5NNaO4S
Molecular Weight393.27 g/mol
Exact Mass393.01
IUPAC Namesodium;hydride;2,3,4,5,6-pentafluoro-N-(2-hydroxy-3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1O.[H-].[Na+]
InChIInChI=1S/C13H8F5NO4S.Na.H/c1-23-6-4-2-3-5(12(6)20)19-24(21,22)13-10(17)8(15)7(14)9(16)11(13)18;;/h2-4,19-20H,1H3;;/q;+1;-1
InChIKeyWRWAATJRYKNWIJ-UHFFFAOYSA-N
XLogP0.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-3-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 138995627
2,3,4,5,6-pentafluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 134093089
N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 3576205
5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43255479
(2-fluoro-3-methoxyphenyl)carbamic acid
CID 66876605
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate
CID 10955644
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
2,3,4,5,6-pentafluoro-N-(3-methylphenyl)benzenesulfonamide
CID 20703904
3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide
CID 115421139
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
N-(2,3-dichlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 1256564

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2,3,4,5,6-pentafluoro-N-(2-hydroxy-3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of sodium;hydride;2,3,4,5,6-pentafluoro-N-(2-hydroxy-3-methoxyphenyl)benzenesulfonamide (CID 173238277) is sodium;hydride;2,3,4,5,6-pentafluoro-N-(2-hydroxy-3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for sodium;hydride;2,3,4,5,6-pentafluoro-N-(2-hydroxy-3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for sodium;hydride;2,3,4,5,6-pentafluoro-N-(2-hydroxy-3-methoxyphenyl)benzenesulfonamide is COc1cccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2,3,4,5,6-pentafluoro-N-(2-hydroxy-3-methoxyphenyl)benzenesulfonamide?
The InChIKey is WRWAATJRYKNWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5NO4S.Na.H/c1-23-6-4-2-3-5(12(6)20)19-24(21,22)13-10(17)8(15)7(14)9(16)11(13)18;;/h2-4,19-20H,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;2,3,4,5,6-pentafluoro-N-(2-hydroxy-3-methoxyphenyl)benzenesulfonamide?
sodium;hydride;2,3,4,5,6-pentafluoro-N-(2-hydroxy-3-methoxyphenyl)benzenesulfonamide has a molecular weight of 393.27 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2,3,4,5,6-pentafluoro-N-(2-hydroxy-3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 173238277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).