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

C12H9ClF2N2O2S — CID 63257691

IUPACN-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
SMILESNc1ccc(F)cc1NS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H9ClF2N2O2S/c13-9-6-8(2-3-10(9)15)20(18,19)17-12-5-7(14)1-4-11(12)16/h1-6,17H,16H2
InChIKeyQODGEKTXUQLIPX-UHFFFAOYSA-N
MW318.73 g/mol
LogP3.00
Rot. Bonds3

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

N-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide (PubChem CID 63257691) has the molecular formula C12H9ClF2N2O2S and a molecular weight of 318.73 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
PubChem CID63257691
Molecular FormulaC12H9ClF2N2O2S
Molecular Weight318.73 g/mol
Exact Mass318.00
IUPAC NameN-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
SMILESNc1ccc(F)cc1NS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H9ClF2N2O2S/c13-9-6-8(2-3-10(9)15)20(18,19)17-12-5-7(14)1-4-11(12)16/h1-6,17H,16H2
InChIKeyQODGEKTXUQLIPX-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-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 43604966
N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide
CID 43343902
4-amino-N-(2-chloro-5-fluorophenyl)-3-methoxybenzenesulfonamide
CID 107526733
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide
CID 115588628
N-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide
CID 63257001
3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969900
4-amino-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide
CID 115329618
3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501117
N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide
CID 63258167
3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 3742158
4-amino-3-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 115329584

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide (CID 63257691) is N-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide is Nc1ccc(F)cc1NS(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide?
The InChIKey is QODGEKTXUQLIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O2S/c13-9-6-8(2-3-10(9)15)20(18,19)17-12-5-7(14)1-4-11(12)16/h1-6,17H,16H2.
What are the key properties of N-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide?
N-(2-amino-5-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-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63257691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).