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

C12H9ClF2N2O2S — CID 105399424

IUPACN-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESNc1ccc(F)c(NS(=O)(=O)c2cc(F)ccc2Cl)c1
InChIInChI=1S/C12H9ClF2N2O2S/c13-9-3-1-7(14)5-12(9)20(18,19)17-11-6-8(16)2-4-10(11)15/h1-6,17H,16H2
InChIKeyYBNIRIBUQGYNNS-UHFFFAOYSA-N
MW318.73 g/mol
LogP3.00
Rot. Bonds3

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

N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 105399424) has the molecular formula C12H9ClF2N2O2S and a molecular weight of 318.73 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
PubChem CID105399424
Molecular FormulaC12H9ClF2N2O2S
Molecular Weight318.73 g/mol
Exact Mass318.00
IUPAC NameN-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESNc1ccc(F)c(NS(=O)(=O)c2cc(F)ccc2Cl)c1
InChIInChI=1S/C12H9ClF2N2O2S/c13-9-3-1-7(14)5-12(9)20(18,19)17-11-6-8(16)2-4-10(11)15/h1-6,17H,16H2
InChIKeyYBNIRIBUQGYNNS-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

5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 29275941
N-(4-amino-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399440
N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399526
N-(5-amino-2-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344317
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
5-amino-2-chloro-N-(2,3,5-trifluorophenyl)benzenesulfonamide
CID 62810507
5-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
CID 103584427
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399559
N-(5-amino-2-fluorophenyl)-4-chloro-2-methylbenzenesulfonamide
CID 43604953
N-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide
CID 43604944

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide (CID 105399424) is N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide is Nc1ccc(F)c(NS(=O)(=O)c2cc(F)ccc2Cl)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is YBNIRIBUQGYNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O2S/c13-9-3-1-7(14)5-12(9)20(18,19)17-11-6-8(16)2-4-10(11)15/h1-6,17H,16H2.
What are the key properties of N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide?
N-(5-amino-2-fluorophenyl)-2-chloro-5-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)-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 105399424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).