4-amino-N-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide

C13H9BrFN3O2S — CID 82692232

IUPAC4-amino-N-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide
SMILESN#Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C13H9BrFN3O2S/c14-9-1-3-12(8(5-9)7-16)18-21(19,20)13-4-2-10(17)6-11(13)15/h1-6,18H,17H2
InChIKeyCEOGKJRYCSLWNG-UHFFFAOYSA-N
MW370.20 g/mol
LogP2.84
Rot. Bonds3

About 4-amino-N-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide

4-amino-N-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide (PubChem CID 82692232) has the molecular formula C13H9BrFN3O2S and a molecular weight of 370.20 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide
PubChem CID82692232
Molecular FormulaC13H9BrFN3O2S
Molecular Weight370.20 g/mol
Exact Mass368.96
IUPAC Name4-amino-N-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide
SMILESN#Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C13H9BrFN3O2S/c14-9-1-3-12(8(5-9)7-16)18-21(19,20)13-4-2-10(17)6-11(13)15/h1-6,18H,17H2
InChIKeyCEOGKJRYCSLWNG-UHFFFAOYSA-N
XLogP2.84
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.20
LogP ≤ 52.84
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

4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide
CID 64914781
4-amino-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide
CID 43256411
4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 82695339
2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
CID 82684208
5-amino-2-(4-bromo-2-cyanoanilino)benzenesulfonamide
CID 82692015
4-bromo-2-cyano-1-(sulfamoylamino)benzene
CID 67402187
5-amino-2-bromo-N-(2-cyanophenyl)benzenesulfonamide
CID 65201755
5-amino-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
CID 61466695
3-amino-4-bromo-N-(4-bromo-2-cyanophenyl)benzenesulfonamide
CID 82693272
N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 82015576
N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide
CID 82694174
4-amino-N-(4-bromo-2-cyanophenyl)-3-methylbenzenesulfonamide
CID 82692234

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide (CID 82692232) is 4-amino-N-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide is N#Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(N)cc1F.
What is the InChIKey of 4-amino-N-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide?
The InChIKey is CEOGKJRYCSLWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3O2S/c14-9-1-3-12(8(5-9)7-16)18-21(19,20)13-4-2-10(17)6-11(13)15/h1-6,18H,17H2.
What are the key properties of 4-amino-N-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide?
4-amino-N-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide has a molecular weight of 370.20 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 82692232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).