N-(5-bromo-2-cyano-4-fluorophenyl)-4-methylbenzenesulfonamide

C14H10BrFN2O2S — CID 169373336

IUPACN-(5-bromo-2-cyano-4-fluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Br)c(F)cc2C#N)cc1
InChIInChI=1S/C14H10BrFN2O2S/c1-9-2-4-11(5-3-9)21(19,20)18-14-7-12(15)13(16)6-10(14)8-17/h2-7,18H,1H3
InChIKeyZXDRJLPMKIATNJ-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.57
Rot. Bonds3

About N-(5-bromo-2-cyano-4-fluorophenyl)-4-methylbenzenesulfonamide

N-(5-bromo-2-cyano-4-fluorophenyl)-4-methylbenzenesulfonamide (PubChem CID 169373336) has the molecular formula C14H10BrFN2O2S and a molecular weight of 369.22 g/mol. Its IUPAC name is N-(5-bromo-2-cyano-4-fluorophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyano-4-fluorophenyl)-4-methylbenzenesulfonamide
PubChem CID169373336
Molecular FormulaC14H10BrFN2O2S
Molecular Weight369.22 g/mol
Exact Mass367.96
IUPAC NameN-(5-bromo-2-cyano-4-fluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Br)c(F)cc2C#N)cc1
InChIInChI=1S/C14H10BrFN2O2S/c1-9-2-4-11(5-3-9)21(19,20)18-14-7-12(15)13(16)6-10(14)8-17/h2-7,18H,1H3
InChIKeyZXDRJLPMKIATNJ-UHFFFAOYSA-N
XLogP3.57
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-bromo-2-cyano-4-fluorophenyl)-4-methylbenzenesulfonamide 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

N-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide
CID 169370042
N-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide
CID 169373249
N-(2-amino-5-methylphenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 115912283
N-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63236123
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073
N-(2-ethynyl-5-fluorophenyl)-4-methylbenzenesulfonamide
CID 169225905
4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161995
[3-fluoro-4-[(4-methylphenyl)sulfonylamino]phenyl] thiocyanate
CID 7938410
N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide
CID 82694174
4-amino-N-(4-bromo-2-cyanophenyl)-3-methylbenzenesulfonamide
CID 82692234
3-amino-4-bromo-N-(4-bromo-2-cyanophenyl)benzenesulfonamide
CID 82693272
N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 104878072

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyano-4-fluorophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-cyano-4-fluorophenyl)-4-methylbenzenesulfonamide (CID 169373336) is N-(5-bromo-2-cyano-4-fluorophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-cyano-4-fluorophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-cyano-4-fluorophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Br)c(F)cc2C#N)cc1.
What is the InChIKey of N-(5-bromo-2-cyano-4-fluorophenyl)-4-methylbenzenesulfonamide?
The InChIKey is ZXDRJLPMKIATNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2S/c1-9-2-4-11(5-3-9)21(19,20)18-14-7-12(15)13(16)6-10(14)8-17/h2-7,18H,1H3.
What are the key properties of N-(5-bromo-2-cyano-4-fluorophenyl)-4-methylbenzenesulfonamide?
N-(5-bromo-2-cyano-4-fluorophenyl)-4-methylbenzenesulfonamide has a molecular weight of 369.22 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyano-4-fluorophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169373336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).