2-amino-5-bromo-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide

C13H9BrFN3O2S — CID 106491269

IUPAC2-amino-5-bromo-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cc(Br)c(F)cc2N)cc1
InChIInChI=1S/C13H9BrFN3O2S/c14-10-5-13(12(17)6-11(10)15)21(19,20)18-9-3-1-8(7-16)2-4-9/h1-6,18H,17H2
InChIKeyDWBFILPZLXQHDG-UHFFFAOYSA-N
MW370.20 g/mol
LogP2.84
Rot. Bonds3

About 2-amino-5-bromo-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide

2-amino-5-bromo-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide (PubChem CID 106491269) has the molecular formula C13H9BrFN3O2S and a molecular weight of 370.20 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide
PubChem CID106491269
Molecular FormulaC13H9BrFN3O2S
Molecular Weight370.20 g/mol
Exact Mass368.96
IUPAC Name2-amino-5-bromo-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cc(Br)c(F)cc2N)cc1
InChIInChI=1S/C13H9BrFN3O2S/c14-10-5-13(12(17)6-11(10)15)21(19,20)18-9-3-1-8(7-16)2-4-9/h1-6,18H,17H2
InChIKeyDWBFILPZLXQHDG-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

5-amino-2-bromo-N-(4-cyanophenyl)benzenesulfonamide
CID 65201995
4-amino-2-bromo-N-(4-cyanophenyl)benzenesulfonamide
CID 43256061
5-amino-2-chloro-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide
CID 61111884
2-amino-5-bromo-N-(3-bromophenyl)-4-fluorobenzenesulfonamide
CID 106491258
2-amino-N-(4-cyanophenyl)-4-methoxybenzenesulfonamide
CID 29296458
2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide
CID 47257475
2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide
CID 107624682
2-amino-5-bromo-N-(2-bromo-4-fluorophenyl)-4-fluorobenzenesulfonamide
CID 106491351
2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106491327
N-(3-amino-4-bromophenyl)-2-cyano-3-fluorobenzenesulfonamide
CID 79753588
2-amino-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 106491419
4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 43257695

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide (CID 106491269) is 2-amino-5-bromo-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide is N#Cc1ccc(NS(=O)(=O)c2cc(Br)c(F)cc2N)cc1.
What is the InChIKey of 2-amino-5-bromo-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide?
The InChIKey is DWBFILPZLXQHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3O2S/c14-10-5-13(12(17)6-11(10)15)21(19,20)18-9-3-1-8(7-16)2-4-9/h1-6,18H,17H2.
What are the key properties of 2-amino-5-bromo-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide?
2-amino-5-bromo-N-(4-cyanophenyl)-4-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 2-amino-5-bromo-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 106491269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).