5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide

C11H9F2N3O2S — CID 65481643

IUPAC5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESNc1ccc(F)c(S(=O)(=O)Nc2ccc(F)cn2)c1
InChIInChI=1S/C11H9F2N3O2S/c12-7-1-4-11(15-6-7)16-19(17,18)10-5-8(14)2-3-9(10)13/h1-6H,14H2,(H,15,16)
InChIKeyQVMILDWEHJOYLB-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.74
Rot. Bonds3

About 5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide

5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (PubChem CID 65481643) has the molecular formula C11H9F2N3O2S and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
PubChem CID65481643
Molecular FormulaC11H9F2N3O2S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESNc1ccc(F)c(S(=O)(=O)Nc2ccc(F)cn2)c1
InChIInChI=1S/C11H9F2N3O2S/c12-7-1-4-11(15-6-7)16-19(17,18)10-5-8(14)2-3-9(10)13/h1-6H,14H2,(H,15,16)
InChIKeyQVMILDWEHJOYLB-UHFFFAOYSA-N
XLogP1.74
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-ethoxy-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 65482063
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 79733311
5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide
CID 28893400
4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 82844573
4-amino-N-(5-fluoro-2-pyridinyl)thiophene-2-sulfonamide
CID 65482445
6-fluoro-N-(5-fluoro-2-pyridinyl)-1H-indazole-5-sulfonamide
CID 163878818
2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 63903663
5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide
CID 65023326
5-amino-N-(5-fluoro-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79959391
5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 43255417
5-amino-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 43255416
5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584501

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (CID 65481643) is 5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is Nc1ccc(F)c(S(=O)(=O)Nc2ccc(F)cn2)c1.
What is the InChIKey of 5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The InChIKey is QVMILDWEHJOYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O2S/c12-7-1-4-11(15-6-7)16-19(17,18)10-5-8(14)2-3-9(10)13/h1-6H,14H2,(H,15,16).
What are the key properties of 5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide has a molecular weight of 285.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 65481643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).