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

C12H9ClF2N2O2S — CID 107334204

IUPACN-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESNc1cc(F)cc(NS(=O)(=O)c2cc(F)ccc2Cl)c1
InChIInChI=1S/C12H9ClF2N2O2S/c13-11-2-1-7(14)5-12(11)20(18,19)17-10-4-8(15)3-9(16)6-10/h1-6,17H,16H2
InChIKeyYWVSYDXUPPXMNB-UHFFFAOYSA-N
MW318.73 g/mol
LogP3.00
Rot. Bonds3

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

N-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 107334204) has the molecular formula C12H9ClF2N2O2S and a molecular weight of 318.73 g/mol. Its IUPAC name is N-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
PubChem CID107334204
Molecular FormulaC12H9ClF2N2O2S
Molecular Weight318.73 g/mol
Exact Mass318.00
IUPAC NameN-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESNc1cc(F)cc(NS(=O)(=O)c2cc(F)ccc2Cl)c1
InChIInChI=1S/C12H9ClF2N2O2S/c13-11-2-1-7(14)5-12(11)20(18,19)17-10-4-8(15)3-9(16)6-10/h1-6,17H,16H2
InChIKeyYWVSYDXUPPXMNB-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

2-chloro-5-fluoro-N-phenylbenzenesulfonamide
CID 115610692
N-(4-amino-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399440
N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399595
N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399424
2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 35955999
2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259716
N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399526
N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399559
5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 29275941
N-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115649180
N-(3-bromo-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610706
N-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399609

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide (CID 107334204) is N-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide is Nc1cc(F)cc(NS(=O)(=O)c2cc(F)ccc2Cl)c1.
What is the InChIKey of N-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is YWVSYDXUPPXMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O2S/c13-11-2-1-7(14)5-12(11)20(18,19)17-10-4-8(15)3-9(16)6-10/h1-6,17H,16H2.
What are the key properties of N-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide?
N-(3-amino-5-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-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 107334204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).