N-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide

C13H8BrFN2O2S — CID 63236123

IUPACN-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccccc2Br)ccc1F
InChIInChI=1S/C13H8BrFN2O2S/c14-11-3-1-2-4-13(11)17-20(18,19)10-5-6-12(15)9(7-10)8-16/h1-7,17H
InChIKeyVTAZRZKVKGGUBH-UHFFFAOYSA-N
MW355.19 g/mol
LogP3.26
Rot. Bonds3

About N-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide

N-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide (PubChem CID 63236123) has the molecular formula C13H8BrFN2O2S and a molecular weight of 355.19 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide
PubChem CID63236123
Molecular FormulaC13H8BrFN2O2S
Molecular Weight355.19 g/mol
Exact Mass353.95
IUPAC NameN-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccccc2Br)ccc1F
InChIInChI=1S/C13H8BrFN2O2S/c14-11-3-1-2-4-13(11)17-20(18,19)10-5-6-12(15)9(7-10)8-16/h1-7,17H
InChIKeyVTAZRZKVKGGUBH-UHFFFAOYSA-N
XLogP3.26
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide
CID 63235820
3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 63235815
N-(2-amino-5-methylphenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 115912283
N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63235952
N-(2-bromophenyl)-4-fluorobenzenesulfonamide
CID 835592
N-(5-bromo-4-methyl-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide
CID 79736144
3-cyano-4-fluorobenzenesulfonohydrazide
CID 63288067
3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
CID 47309192
N-(5-bromo-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63289103
N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide
CID 115701867
3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide
CID 106605832
3-cyano-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66354770

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide (CID 63236123) is N-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2ccccc2Br)ccc1F.
What is the InChIKey of N-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide?
The InChIKey is VTAZRZKVKGGUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O2S/c14-11-3-1-2-4-13(11)17-20(18,19)10-5-6-12(15)9(7-10)8-16/h1-7,17H.
What are the key properties of N-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide?
N-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide has a molecular weight of 355.19 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63236123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).