4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide

C13H9F2N3O2S — CID 82845262

IUPAC4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide
SMILESN#Cc1c(F)cccc1NS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C13H9F2N3O2S/c14-10-2-1-3-13(9(10)7-16)18-21(19,20)8-4-5-12(17)11(15)6-8/h1-6,18H,17H2
InChIKeySZHBUKGQPIJEMC-UHFFFAOYSA-N
MW309.30 g/mol
LogP2.22
Rot. Bonds3

About 4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide

4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide (PubChem CID 82845262) has the molecular formula C13H9F2N3O2S and a molecular weight of 309.30 g/mol. Its IUPAC name is 4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide
PubChem CID82845262
Molecular FormulaC13H9F2N3O2S
Molecular Weight309.30 g/mol
Exact Mass309.04
IUPAC Name4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide
SMILESN#Cc1c(F)cccc1NS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C13H9F2N3O2S/c14-10-2-1-3-13(9(10)7-16)18-21(19,20)8-4-5-12(17)11(15)6-8/h1-6,18H,17H2
InChIKeySZHBUKGQPIJEMC-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

3-amino-4-bromo-N-(2-cyano-3-fluorophenyl)benzenesulfonamide
CID 115328819
N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide
CID 43580569
4-amino-3-fluoro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
CID 82843952
4-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide
CID 60823914
4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide
CID 82843706
4-amino-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide
CID 61299391
4-amino-3-bromo-N-(2-cyano-3-methylphenyl)benzenesulfonamide
CID 107802523
5-amino-N-(2-cyano-3-fluorophenyl)-2-methylbenzenesulfonamide
CID 43580304
3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide
CID 63235820
N-(2-cyano-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60916235
3-amino-4-(2-cyano-3-fluoroanilino)benzenesulfonamide
CID 43580501
4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43580595

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide (CID 82845262) is 4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide is N#Cc1c(F)cccc1NS(=O)(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide?
The InChIKey is SZHBUKGQPIJEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O2S/c14-10-2-1-3-13(9(10)7-16)18-21(19,20)8-4-5-12(17)11(15)6-8/h1-6,18H,17H2.
What are the key properties of 4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide?
4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide 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 4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 82845262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).