N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide

C12H9ClF2N2O2S — CID 43604966

IUPACN-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
SMILESNc1ccc(F)c(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C12H9ClF2N2O2S/c13-9-6-8(2-4-10(9)14)20(18,19)17-12-5-7(16)1-3-11(12)15/h1-6,17H,16H2
InChIKeyPPGIZYVXMCNYIE-UHFFFAOYSA-N
MW318.73 g/mol
LogP3.00
Rot. Bonds3

About N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide

N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide (PubChem CID 43604966) has the molecular formula C12H9ClF2N2O2S and a molecular weight of 318.73 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
PubChem CID43604966
Molecular FormulaC12H9ClF2N2O2S
Molecular Weight318.73 g/mol
Exact Mass318.00
IUPAC NameN-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
SMILESNc1ccc(F)c(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C12H9ClF2N2O2S/c13-9-6-8(2-4-10(9)14)20(18,19)17-12-5-7(16)1-3-11(12)15/h1-6,17H,16H2
InChIKeyPPGIZYVXMCNYIE-UHFFFAOYSA-N
XLogP3.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 63257691
N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399424
N-(5-amino-2-fluorophenyl)-4-ethylbenzenesulfonamide
CID 43604941
N-(5-amino-2-fluorophenyl)-3-methylbenzenesulfonamide
CID 16773976
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167025
3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 3742158
N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106604917
4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 28968050
N-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide
CID 43604944
5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 29275941
N-(5-amino-2-fluorophenyl)-4-chloro-2-methylbenzenesulfonamide
CID 43604953

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide (CID 43604966) is N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide is Nc1ccc(F)c(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide?
The InChIKey is PPGIZYVXMCNYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O2S/c13-9-6-8(2-4-10(9)14)20(18,19)17-12-5-7(16)1-3-11(12)15/h1-6,17H,16H2.
What are the key properties of N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide?
N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide has a molecular weight of 318.73 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide is sourced from PubChem (CID 43604966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).