N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide

C12H9ClF2N2O2S — CID 43343902

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

About N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide

N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide (PubChem CID 43343902) has the molecular formula C12H9ClF2N2O2S and a molecular weight of 318.73 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide
PubChem CID43343902
Molecular FormulaC12H9ClF2N2O2S
Molecular Weight318.73 g/mol
Exact Mass318.00
IUPAC NameN-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide
SMILESNc1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H9ClF2N2O2S/c13-7-1-4-11(16)12(5-7)17-20(18,19)8-2-3-9(14)10(15)6-8/h1-6,17H,16H2
InChIKeyISIXBNHCDZERLF-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
3-amino-N-(2-bromo-5-chlorophenyl)-4-fluorobenzenesulfonamide
CID 81262729
4-amino-3-bromo-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 62057861
N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide
CID 3702957
4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide
CID 97161953
N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167025
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167027
N-(2-amino-4-cyanophenyl)-3,4-difluorobenzenesulfonamide
CID 78965177
N-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 81305049
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3,4-difluorobenzenesulfonamide
CID 78787086
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 28590083

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide (CID 43343902) is N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide is Nc1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide?
The InChIKey is ISIXBNHCDZERLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O2S/c13-7-1-4-11(16)12(5-7)17-20(18,19)8-2-3-9(14)10(15)6-8/h1-6,17H,16H2.
What are the key properties of N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide?
N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide 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-chlorophenyl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 43343902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).