N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide

C12H8F4N2O2S — CID 63257823

IUPACN-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide
SMILESNc1ccc(F)cc1NS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H8F4N2O2S/c13-6-1-3-8(17)9(5-6)18-21(19,20)10-4-2-7(14)11(15)12(10)16/h1-5,18H,17H2
InChIKeyGHPSEAOLSLIQBZ-UHFFFAOYSA-N
MW320.27 g/mol
LogP2.63
Rot. Bonds3

About N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide

N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide (PubChem CID 63257823) has the molecular formula C12H8F4N2O2S and a molecular weight of 320.27 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide
PubChem CID63257823
Molecular FormulaC12H8F4N2O2S
Molecular Weight320.27 g/mol
Exact Mass320.02
IUPAC NameN-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide
SMILESNc1ccc(F)cc1NS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H8F4N2O2S/c13-6-1-3-8(17)9(5-6)18-21(19,20)10-4-2-7(14)11(15)12(10)16/h1-5,18H,17H2
InChIKeyGHPSEAOLSLIQBZ-UHFFFAOYSA-N
XLogP2.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 24656227
2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 43438207
N-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 63257691
N-(2-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 63257228
2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62809639
N-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide
CID 63257001
4-bromo-N-(2,5-difluorophenyl)-2-fluorobenzenesulfonamide
CID 97455684
2,3-difluoro-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 71975700
N-[2-(aminomethyl)phenyl]-2,3,4-trifluorobenzenesulfonamide
CID 64894668
2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide
CID 107624682
N-(2-amino-5-fluorophenyl)-5-tert-butylthiophene-2-sulfonamide
CID 167841193

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide (CID 63257823) is N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide is Nc1ccc(F)cc1NS(=O)(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide?
The InChIKey is GHPSEAOLSLIQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O2S/c13-6-1-3-8(17)9(5-6)18-21(19,20)10-4-2-7(14)11(15)12(10)16/h1-5,18H,17H2.
What are the key properties of N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide?
N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide has a molecular weight of 320.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide is sourced from PubChem (CID 63257823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).