N-(2-amino-4,6-difluorophenyl)-4-cyanobenzenesulfonamide

C13H9F2N3O2S — CID 81305247

IUPACN-(2-amino-4,6-difluorophenyl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2c(N)cc(F)cc2F)cc1
InChIInChI=1S/C13H9F2N3O2S/c14-9-5-11(15)13(12(17)6-9)18-21(19,20)10-3-1-8(7-16)2-4-10/h1-6,18H,17H2
InChIKeyJPJCDRSREZBCQJ-UHFFFAOYSA-N
MW309.30 g/mol
LogP2.22
Rot. Bonds3

About N-(2-amino-4,6-difluorophenyl)-4-cyanobenzenesulfonamide

N-(2-amino-4,6-difluorophenyl)-4-cyanobenzenesulfonamide (PubChem CID 81305247) has the molecular formula C13H9F2N3O2S and a molecular weight of 309.30 g/mol. Its IUPAC name is N-(2-amino-4,6-difluorophenyl)-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,6-difluorophenyl)-4-cyanobenzenesulfonamide
PubChem CID81305247
Molecular FormulaC13H9F2N3O2S
Molecular Weight309.30 g/mol
Exact Mass309.04
IUPAC NameN-(2-amino-4,6-difluorophenyl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2c(N)cc(F)cc2F)cc1
InChIInChI=1S/C13H9F2N3O2S/c14-9-5-11(15)13(12(17)6-9)18-21(19,20)10-3-1-8(7-16)2-4-10/h1-6,18H,17H2
InChIKeyJPJCDRSREZBCQJ-UHFFFAOYSA-N
XLogP2.22
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4,6-difluorophenyl)-4-fluorobenzenesulfonamide
CID 81314823
N-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 81305049
N-(2-amino-4-bromo-6-methylphenyl)-4-cyanobenzenesulfonamide
CID 43551010
4-cyano-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813559
4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 8501259
N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide
CID 104757197
N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide
CID 43551091
N-(2-amino-4-cyanophenyl)-3,4-difluorobenzenesulfonamide
CID 78965177
N-(2-amino-4,6-difluorophenyl)thiophene-2-sulfonamide
CID 81314553
3-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzenesulfonamide
CID 43168233
N-(2-amino-4,6-difluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 81304571
N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide
CID 3852570

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-difluorophenyl)-4-cyanobenzenesulfonamide?
The IUPAC name of N-(2-amino-4,6-difluorophenyl)-4-cyanobenzenesulfonamide (CID 81305247) is N-(2-amino-4,6-difluorophenyl)-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4,6-difluorophenyl)-4-cyanobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4,6-difluorophenyl)-4-cyanobenzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2c(N)cc(F)cc2F)cc1.
What is the InChIKey of N-(2-amino-4,6-difluorophenyl)-4-cyanobenzenesulfonamide?
The InChIKey is JPJCDRSREZBCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O2S/c14-9-5-11(15)13(12(17)6-9)18-21(19,20)10-3-1-8(7-16)2-4-10/h1-6,18H,17H2.
What are the key properties of N-(2-amino-4,6-difluorophenyl)-4-cyanobenzenesulfonamide?
N-(2-amino-4,6-difluorophenyl)-4-cyanobenzenesulfonamide has a molecular weight of 309.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-difluorophenyl)-4-cyanobenzenesulfonamide is sourced from PubChem (CID 81305247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).