N-(2-amino-4-fluorophenyl)-2-cyanobenzenesulfonamide

C13H10FN3O2S — CID 28522075

IUPACN-(2-amino-4-fluorophenyl)-2-cyanobenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C13H10FN3O2S/c14-10-5-6-12(11(16)7-10)17-20(18,19)13-4-2-1-3-9(13)8-15/h1-7,17H,16H2
InChIKeyBLTZHWYWKHPMHB-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.08
Rot. Bonds3

About N-(2-amino-4-fluorophenyl)-2-cyanobenzenesulfonamide

N-(2-amino-4-fluorophenyl)-2-cyanobenzenesulfonamide (PubChem CID 28522075) has the molecular formula C13H10FN3O2S and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-cyanobenzenesulfonamide
PubChem CID28522075
Molecular FormulaC13H10FN3O2S
Molecular Weight291.31 g/mol
Exact Mass291.05
IUPAC NameN-(2-amino-4-fluorophenyl)-2-cyanobenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C13H10FN3O2S/c14-10-5-6-12(11(16)7-10)17-20(18,19)13-4-2-1-3-9(13)8-15/h1-7,17H,16H2
InChIKeyBLTZHWYWKHPMHB-UHFFFAOYSA-N
XLogP2.08
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.08
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-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide
CID 26969917
2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 2579215
N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 82015576
N-(2-amino-4-fluorophenyl)benzenesulfonamide
CID 16778352
N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106265104
N-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide
CID 75499452
2-cyano-N-(2-phenoxyphenyl)benzenesulfonamide
CID 26980043
N-(2-amino-4,6-dibromophenyl)-2-cyanobenzenesulfonamide
CID 43550675
2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 110756477
N-(3-amino-4-methylphenyl)-2-cyanobenzenesulfonamide
CID 29287347
2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide
CID 115972540
2-cyano-N-(2-phenylphenyl)benzenesulfonamide
CID 26979564

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-cyanobenzenesulfonamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-cyanobenzenesulfonamide (CID 28522075) is N-(2-amino-4-fluorophenyl)-2-cyanobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-cyanobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-cyanobenzenesulfonamide is N#Cc1ccccc1S(=O)(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-cyanobenzenesulfonamide?
The InChIKey is BLTZHWYWKHPMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2S/c14-10-5-6-12(11(16)7-10)17-20(18,19)13-4-2-1-3-9(13)8-15/h1-7,17H,16H2.
What are the key properties of N-(2-amino-4-fluorophenyl)-2-cyanobenzenesulfonamide?
N-(2-amino-4-fluorophenyl)-2-cyanobenzenesulfonamide has a molecular weight of 291.31 g/mol, XLogP of 2.08, 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-fluorophenyl)-2-cyanobenzenesulfonamide is sourced from PubChem (CID 28522075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).